Details of the Drug Inactive Ingredient (DIG)

General Information of DIG (ID: E0VM7C)
DIG Name	Methylpyrrolidone
Synonyms	Click to Show/Hide the Synonyms of This DIG 1-METHYL-2-PYRROLIDINONE; 872-50-4; N-Methylpyrrolidone; N-Methyl-2-pyrrolidone; 1-methylpyrrolidin-2-one; Methylpyrrolidone; 1-Methyl-2-pyrrolidone; N-Methyl-2-pyrrolidinone; M-Pyrol; N-Methylpyrrolidinone; 1-Methylpyrrolidone; 2-Pyrrolidinone, 1-methyl-; 1-Methylpyrrolidinone; n-methyl-pyrrolidone; 1-Methylazacyclopentan-2-one; 1-Methyl-5-pyrrolidinone; N-methylpyrrolidin-2-one; NMP; N-Methyl-gamma-butyrolactam; N-methyl pyrrolidone; 1-methylpyrrolidine-2-one; N-methyl pyrrolidinone; Methyl-2-pyrrolidinone; 1-methyl-2-pyrrolidon; Methyl pyrrolidone; Methylpyrrolidinone; UNII-JR9CE63FPM; N-Methyl-alpha-pyrrolidone; N-Methylpyrrolidon; NSC 4594; Agsolex 1; N-Methyl-alpha-pyrrolidinone; N-methyl-pyrrolidinone; N-Methyl-2-pyrrolidon; N-Methylpyrrolid-2-one; MFCD00003193; JR9CE63FPM; 2687-44-7; N-methyl-pyrrolidin-2-one; 1-methyl-pyrrolidin-2-one; N-Methyl-.alpha.-pyrrolidone; CHEMBL12543; N-Methyl-.gamma.-butyrolactam; CHEBI:7307; N-Methyl-.alpha.-pyrrolidinone; DTXSID6020856; NSC-4594; N-Methylpyrrolidinon; 1-Methyl-2-pyrrolidinone, anhydrous; 1-Methyl-2-pyrrolidinone, HPLC Grade; DSSTox_CID_856; N 0131; DSSTox_RID_75828; DSSTox_GSID_20856; 26138-58-9; 51013-18-4; pharmasolve; 2-Pyrrolidinone, methyl-; CAS-872-50-4; CCRIS 1633; Methylpyrrolidone, N-; HSDB 5022; Pyrrolidinone, methyl-; 1-Methyl-2-pyrrolidinone, 99.5%, for HPLC; Methylpyrrolidone [NF]; 1-Methyl-2-pyrrolidinone, 99.5+%, ACS reagent; 1-Methyl-2-pyrrolidinone, 99+%, for spectroscopy; EINECS 212-828-1; 1-Methyl-2-pyrrolidinone, 99.5%, Extra Dry, AcroSeal(R); 1-Methyl-2-pyrrolidinone, puriss. p.a., >=99.0% (GC); Micropure ultra; AI3-23116; N-methypyrrolidone; 1-Methyl-2-pyrrolidinone, 99.5%, Extra Dry over Molecular Sieve, AcroSeal(R); Pyrol M; N-methylpirrolidone; 1methylpyrrolidinone; n-methyl pyrrolidon; n-methylbutyrolactam; N-methy pyrrolidone; N-methyl-pyrolidone; N-methyl-pyrrolidon; N-methylpyrolidinone; 1-methylpyrolidinone; Microposit 2001; n-methylpyrollidinone; N-methlypyrrolidinone; N-methyl pirrolidone; N-methyl pyrollidone; N-methyl-pyrollidone; N-methylpyrrolidone-; NMP,SP Grade; 1-methyl pyrrolidone; 1-methyl-pyrrolidone; methyl-2-pyrrolidone; N-methy pyrrolidinone; N-methyl pyrolidinone; N-methyl-pyrolidinone; N-methyl- pyrrolidone; N-methylpyrro-lidinone; N-methylpyrroli-dinone; N-methylpyrrolidin-one; 1-methyl-2pyrrolidone; 1-methyl2-pyrrolidone; 1methyl-2-pyrrolidone; 1-methyl pyrrolidinone; 1-methyl-pyrrolidinone; methylpyrrolidin-2-one; N-methy-2-pyrrolidone; N-methyl 2-pyrolidone; N-methyl-2-pyrolidone; 1-methyl-2-pyrolidone; PubChem17618; 3p1d; N-methyl 2-pyrrolidone; N-methyl-2-pyrollidone; 1-methyl-2-pirrolidone; 1-methyl-2-pyroldinone; 1-methylpyrrolid-2-one; 1methyl-2-pyrrolidinone; ACMC-1CKWA; n-methylpyrrolidine-2one; N-methyl-2-pyrolidinone; N-methyl-2-pyrrolidinon; N-methylpyrolidin-2-one; 1-methy-2-pyrrolidinone; 1-methyl-2-pyrolidinone; N-methyl 2-pyrrolidinone; N-methyl-2-pyrollidinone; N-methyl-pyrrolid-2-one; N-methylpyrollidin-2-one; 1 -methyl-2-pyrrolidone; 1-methyl 2-pyrrolidinone; 1-methyl-2-pyrollidinone; 1-methyl-pyrrolin-2-one; N-Methylpyrrolidone-(2); NMP, N-Methylpyrrolidone; 1-Methyl-pyrrolidin-2one; N-methylpyrrolidine-2-one; WLN: T5NVTJ A; N-methyl -2-pyrrolidinone; 1 -methyl-2-pyrrolidinone; 1-methyl -2-pyrrolidinone; 1-methyl-2- pyrrolidinone; EC 212-828-1; 2-Pyrrolidone, 1-methyl-; 1-methyl-pyrrolidine-2-one; 1-N-methyl-2-pyrrolidinone; N-methyl-pyrrolidin -2-one; 1-Methylazacyclopentane-2-one; GTPL9520; 1-Methyl-2- pyrrolidin-2-one; NSC4594; ZINC3860621; Tox21_202350; Tox21_300097; 1-Methyl-2-pyrrolidinone, 99.5%; 2447AB; ANW-38658; BDBM50353587; N-Methyl pyrrolidon (Peptide Grade); s6282; SBB060297; STL183295; N-Methyl-2-pyrrolidinone ACS reagent; AKOS000120930; 1-Methyl-2-pyrrolidinone, BioSolv(R); DB12521; MCULE-1381506705; N-Methyl-[d3]-2-pyrrolidinone-[d6]; SL 1332; 1-Methyl-2-pyrrolidone, Reagent, ACS; NCGC00247902-01; NCGC00247902-02; NCGC00253935-01; NCGC00259899-01; 30207-69-3; 1-Methyl-2-pyrrolidinone, 99%, extra pure; 1-Methyl-2-pyrrolidone (Low water content); AM20110252; CS-0017258; FT-0608052; FT-0672137; FT-0698122; FT-0700571; M0418; M3055; ST51046511; 1-Methyl-2-pyrrolidinone, analytical standard; 1-Methyl-2-pyrrolidinone, anhydrous, 99.5%; 1-Methyl-2-pyrrolidinone, for HPLC, >=99%; 1-Methyl-2-pyrrolidinone, for synthesis, 99%; C11118; M 0418; Q33103; Residual Solvent Class 2 - N-Methylpyrrolidone; 1-Methyl-2-pyrrolidinone, ReagentPlus(R), 99%; 17283-EP2272834A1; 17283-EP2272849A1; 17283-EP2275469A1; 17283-EP2287153A1; 17283-EP2287940A1; 17283-EP2289510A1; 17283-EP2289868A1; 17283-EP2289965A1; 17283-EP2295399A2; 17283-EP2298313A1; 17283-EP2298763A1; 17283-EP2298767A1; 17283-EP2298828A1; 17283-EP2301929A1; 17283-EP2301935A1; 17283-EP2301983A1; 17283-EP2305243A1; 17283-EP2305674A1; 17283-EP2308838A1; 17283-EP2308857A1; 17283-EP2308926A1; 17283-EP2309564A1; 17283-EP2309584A1; 17283-EP2311815A1; 17283-EP2311831A1; 17283-EP2314586A1; 17283-EP2314587A1; 32226-EP2301933A1; 32226-EP2311827A1; 32356-EP2298731A1; 32356-EP2301933A1; 32356-EP2311827A1; 33443-EP2287147A2; 33443-EP2292624A1; 33443-EP2295409A1; 33443-EP2301922A1; 33443-EP2308812A2; 33443-EP2311815A1; 34253-EP2269989A1; 34253-EP2270113A1; 34253-EP2272817A1; 34253-EP2272935A1; 34253-EP2277875A2; 34253-EP2292607A2; 34253-EP2298778A1; 34253-EP2305657A2; 34253-EP2308492A1; 34253-EP2311850A1; 47604-EP2269983A1; 47604-EP2269984A1; 47604-EP2269990A1; 47604-EP2277875A2; 47604-EP2292227A2; 47604-EP2298770A1; 47604-EP2298774A1; 47604-EP2301921A1; 47604-EP2301926A1; 47604-EP2305642A2; 47604-EP2305650A1; 47604-EP2305667A2; 47604-EP2308861A1; 47604-EP2308880A1; 47604-EP2311811A1; 49793-EP2272509A1; 49793-EP2272835A1; 49793-EP2272848A1; 49793-EP2274983A1; 49793-EP2277858A1; 49793-EP2283898A1; 49793-EP2292607A2; 49793-EP2295411A1; 49793-EP2298761A1; 49793-EP2305633A1; 49793-EP2305687A1; 49793-EP2308812A2; 49793-EP2308960A1; 49793-EP2311824A1; 49793-EP2311825A1; 49793-EP2380872A1; 72367-EP2279741A2; 72367-EP2287153A1; 72367-EP2287155A1; 72367-EP2292615A1; 72367-EP2295415A1; 72367-EP2298747A1; 72367-EP2308867A2; 72367-EP2308870A2; 77850-EP2272846A1; 77850-EP2277868A1; 77850-EP2277869A1; 77850-EP2277870A1; 77850-EP2284166A1; 77850-EP2292608A1; 77850-EP2292616A1; 77850-EP2298305A1; 77850-EP2298749A1; 77850-EP2305033A1; 77850-EP2308866A1; 78692-EP2277875A2; 78692-EP2292619A1; 78692-EP2305667A2; 78692-EP2305688A1; 78692-EP2375479A1; 85636-EP2292616A1; 85636-EP2298769A1; 85636-EP2305657A2; 1-Methyl-2-pyrrolidinone, Spectrophotometric Grade; 107610-EP2272517A1; 107610-EP2298746A1; 108900-EP2281861A2; 108900-EP2298769A1; 139735-EP2269983A1; 139735-EP2269984A1; 139735-EP2292607A2; 153002-EP2280002A1; 153002-EP2287164A1; 153002-EP2289881A1; 2-PYRROLIDONE,1-METHYL MFC5 H9 N1 O1; A842053; 1-Methyl-2-pyrrolidinone, ACS reagent, >=99.0%; 2,5-Dichloro-4,6-dimethyl pyridine-3-carbonitrile; J-504921; J-803017; 1-Methyl-2-pyrrolidinone, biotech. grade, >=99.7%; 1-Methyl-2-pyrrolidinone, Electronic/Cleanroom Grade; 1-Methyl-2-pyrrolidinone, p.a., ACS reagent, 99%; 1-Methyl-2-pyrrolidinone, SAJ first grade, >=98.0%; F0001-2169; 1-Methyl-2-pyrrolidinone, spectrophotometric grade, >=99%; 1-Methyl-2-pyrrolidinone, Vetec(TM) reagent grade, 98%; 1-Methyl-2-pyrrolidinone, for metal speciation analysis, >=99.0% (GC); Methylpyrrolidone, United States Pharmacopeia (USP) Reference Standard; 1-Methyl-2-pyrrolidinone solution, Aromatic hydrocarbon solvents mixture (80/20 ratio); N-Methylpyrrolidone, Pharmaceutical Secondary Standard; Certified Reference Material
DIG Function	Penetration agent; Solubilizing agent; Solvent
PubChem CID	13387
Formula	C5H9NO
Canonical SMILES	CN1CCCC1=O
InChI	1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3
InChIKey	SECXISVLQFMRJM-UHFFFAOYSA-N
	Click to Show/Hide the Molecular Data (Structure/Property) of This DIG
Structure	<iframe style="width: 300px; height: 300px;" frameborder="0" src="https://embed.molview.org/v1/?mode=balls&cid=13387"></iframe>
Structure	3D MOL		2D MOL
Physicochemical Properties	Molecular Weight	99.13	Topological Polar Surface Area	20.3
	XlogP	-0.5	Complexity	90.1
	Heavy Atom Count	7	Rotatable Bond Count	0
	Hydrogen Bond Donor Count	0	Hydrogen Bond Acceptor Count	1

Full List of Biological Targets of DIG (DBTs) Regulated by This DIG
G-protein coupled receptor (GPCR)
DBT Name: Muscarinic receptor (CHRM)		Click to Show/Hide
Detailed Information	DBT Info click to show the detail info of this DBT
Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
Biological Activity	IC50 = 13 nM (estimated based on the structural similarity with CHEMBL23957 )		[1]
Structural Similarity	Tanimoto coefficient = 0.87804878
Tested Species	Rattus norvegicus (Rat)
UniProt ID	ACM1_RAT ; ACM2_RAT ; ACM3_RAT ; ACM4_RAT ; ACM5_RAT
DBT Name: Muscarinic receptor M1 (ACM1)		Click to Show/Hide
Detailed Information	DBT Info click to show the detail info of this DBT
Experiment (1) for Assessing the Biological Activity of the Studied DIG on This DBT
Biological Activity	EC50 = 7400 nM (estimated based on the structural similarity with CHEMBL23957 )		[2]
Structural Similarity	Tanimoto coefficient = 0.87804878
Tested Species	Homo sapiens (Human)
UniProt ID	ACM1_HUMAN
Experiment (2) for Assessing the Biological Activity of the Studied DIG on This DBT
Biological Activity	EC50 = 700 nM (estimated based on the structural similarity with CHEMBL23957 )		[3]
Structural Similarity	Tanimoto coefficient = 0.87804878
Tested Species	Mus musculus (Mouse)
UniProt ID	ACM1_MOUSE
DBT Name: Muscarinic receptor M2 (ACM2)		Click to Show/Hide
Detailed Information	DBT Info click to show the detail info of this DBT
Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
Biological Activity	Ki = 1600 nM (estimated based on the structural similarity with CHEMBL41779 )		[4]
Structural Similarity	Tanimoto coefficient = 0.87804878
Tested Species	Rattus norvegicus (Rat)
UniProt ID	ACM2_RAT
DBT Name: Muscarinic receptor M3 (ACM3)		Click to Show/Hide
Detailed Information	DBT Info click to show the detail info of this DBT
Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
Biological Activity	EC50 = 1800 nM (estimated based on the structural similarity with CHEMBL23957 )		[2]
Structural Similarity	Tanimoto coefficient = 0.87804878
Tested Species	Homo sapiens (Human)
UniProt ID	ACM3_HUMAN
DBT Name: Muscarinic receptor M5 (ACM5)		Click to Show/Hide
Detailed Information	DBT Info click to show the detail info of this DBT
Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
Biological Activity	EC50 = 2300 nM (estimated based on the structural similarity with CHEMBL23957 )		[2]
Structural Similarity	Tanimoto coefficient = 0.87804878
Tested Species	Homo sapiens (Human)
UniProt ID	ACM5_HUMAN

References
1	Substituent variation in azabicyclic triazole- and tetrazole-based muscarinic receptor ligands. J Med Chem. 1992 Jun 26; 35(13):2392-406.
2	FRET-based sensors for the human M1-, M3-, and M5-acetylcholine receptors. Bioorg Med Chem. 2011 Feb 1; 19(3):1048-54.
3	Synthesis and biological characterization of 1,4,5,6-tetrahydropyrimidine and 2-amino-3,4,5,6-tetrahydropyridine derivatives as selective m1 agonists. J Med Chem. 1997 Apr 11; 40(8):1230-46.
4	The synthesis and biochemical pharmacology of enantiomerically pure methylated oxotremorine derivatives. J Med Chem. 1993 Nov 12; 36(23):3533-41.

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