Details of the Active Pharmaceutical Ingredient (API)

General Information of API (ID: D00802)
Name
Abametapir
Synonyms    Click to Show/Hide the Synonyms of This API
5,5'-Dimethyl-2,2'-bipyridine; 1762-34-1; Abametapir; 5,5'-Dimethyl-2,2'-dipyridyl; 5,5'-Dimethyl-2,2'-bipyridyl; 6,6'-Bi-3-picoline; 2,2'-BIPYRIDINE, 5,5'-DIMETHYL-; HA-44; 6,6'-Di-3-picolyl; 6,6'-Di-3-picoline; UNII-6UO390AMFB; 5-methyl-2-(5-methylpyridin-2-yl)pyridine; MFCD01740554; 6UO390AMFB; CHEMBL2205807; 5,5'-dimethyl-2,2'-bipyridinyl; 5,5 -Dimethyl-2,2 -bipyridine; Xeglyze; BRN 0123183; Abametapir [USAN:INN]; Xeglyze(Abametapir); Xeglyze (TN); PubChem24353; Abametapir (USAN/INN); ACMC-209eb4; SCHEMBL351152; HA44; 2,2 -Bis-(5-methylpyridyl); DTXSID00170095; ZINC403335; 9238AA; ANW-22814; BDBM50401351; LT0042; s5752; 5,5''-Dimethyl-2,2''-bipyridine; AKOS005257775; CS-W004546; DB11932; MCULE-8581798506; SB17220; 5,5 inverted exclamation marka-Dimethyl-2,2 inverted exclamation marka-dipyridyl; 5,5'-Dimethyl-2,2'-dipyridyl, 98%; AK-63331; DS-15219; SY052805; FT-0689891; D10687; W-108621; Q27265547; 5,5 inverted exclamation mark -Dimethyl-2,2 inverted exclamation mark -bipyridyl
Clinical Status
Approved
PubChem CID
15664
Formula
C12H12N2
Canonical SMILES
CC1=CN=C(C=C1)C2=NC=C(C=C2)C
InChI
1S/C12H12N2/c1-9-3-5-11(13-7-9)12-6-4-10(2)8-14-12/h3-8H,1-2H3
InChIKey
PTRATZCAGVBFIQ-UHFFFAOYSA-N
   Click to Show/Hide the Molecular Data (Structure/Property) of This API
Structure
<iframe style="width: 300px; height: 300px;" frameborder="0" src="https://embed.molview.org/v1/?mode=balls&cid=15664"></iframe>
3D MOL 2D MOL
Physicochemical Properties Molecular Weight 184.24 Topological Polar Surface Area 25.8
XlogP 2.2 Complexity 161
Heavy Atom Count 14 Rotatable Bond Count 1
Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 2
Full List of Drug Formulations (DFMs) Containing This API
          Abametapir 0.74% lotion Click to Show/Hide the Full List of Formulation(s):          1 Formulation(s)
             Drug Formulation 1 DFM Info click to show the detail info of this DFM
                   All DIGs    Click to Show/Hide the Full List of DIGs in This DFM
Benzyl Alcohol; Butylated Hydroxytoluene; Carbomer 980; Light Mineral Oil; Polysorbate 20; Trolamine; Water
                   Dosage Form Lotion
                   Company Dr. ReddyS Laboratories
                   DIG(s) with
                   Biological Activity
DIG Name DIG Info Representative Biological Activity of This DIG REF
Butylated hydroxytoluene DIG Info Carbonic anhydrase II (Ki = 630 nM) [1]
Benzyl alcohol DIG Info Indoleamine 2,3-dioxygenase 1 (IC50 = 1400 nM) [2]
Trolamine DIG Info Choline acetylase (IC50 < 200000 nM) [3]
Polysorbate 20 DIG Info Cytochrome P450 2E1 (IC50 = 64.1 uM) [4]
References
1 Carbonic anhydrase inhibitors. Inhibition of human erythrocyte isozymes I and II with a series of antioxidant phenols. Bioorg Med Chem. 2009 Apr 15; 17(8):3207-11.
2 O-alkylhydroxylamines as rationally-designed mechanism-based inhibitors of indoleamine 2,3-dioxygenase-1. Eur J Med Chem. 2016 Jan 27; 108:564-576.
3 Chemistry and biological activities of N,N-dimethylaminoethyl acrylate, a choline acetyltransferase inhibitor. J Med Chem. 1976 Feb; 19(2):300-3.
4 Mediation of in vitro cytochrome p450 activity by common pharmaceutical excipients. Mol Pharm. 2013 Jul 1;10(7):2739-48.

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