Details of the Active Pharmaceutical Ingredient (API)

General Information of API (ID: D01335)
Name
Pentostatin
Synonyms    Click to Show/Hide the Synonyms of This API
pentostatin; Deoxycoformycin; Nipent; 53910-25-1; 2'-Deoxycoformycin; 2'-DCF; CO-Vidarabine; Covidarabine; Vidarbine; CI-825; NSC-218321; YK-176; Co-V; PD-ADI; UNII-395575MZO7; 2'-Dexoycoformycin; Vira A deaminase inhibitor; PD 81565; PD-81565; 395575MZO7; (8R)-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H,6H,7H,8H-imidazo[4,5-d][1,3]diazepin-8-ol; NCGC00182045-01; Deaminase inhibitor (PD); NSC 218321; (8R)-3-(2-deoxy-beta-D-erythro-pentofuranosyl)-3,6,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-8-ol; Pentostatina; Pentostatine; Pentostatinum; (R)-3-((2R,4S,5R)-4-Hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-3,4,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-8-ol; (R)-3-(2-Deoxy-beta-D-erythro-pentofuranosyl)-3,6,7,8-tetrahydroimidazo(4,5-d)(1,3)diazepin-8-ol; (R)-Deoxycoformycin; CL 67310465; 8R-2'-Deoxycoformycin; (R)-2'-Deoxycoformycin; Pentostatine [INN-French]; Pentostatinum [INN-Latin]; Pentostatina [INN-Spanish]; Pentostatn; Pentostatin (JAN/USAN/INN); HSDB 6547; (R)-3-(2-Deoxy-.beta.-D-erythro-pentofuranosyl)-3,6,7,8-tetrahydroimidazo(4,5-d)(1,3)diazepin-8-ol; (R)-3-(2-deoxy-beta-D-erythro-pentofuranosyl)-3,6,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-8-ol; Pentostatin [USAN:INN:BAN:JAN]; Pentostatin (PTN); BRN 1223097; DSSTox_CID_3436; CL-67310465; Deaminase, inhibitor for adenosine arabinoside; Pentostatin(Deoxycoformycin); SCHEMBL2817; CHEMBL1580; DSSTox_RID_77027; DSSTox_GSID_23436; BIDD:GT0136; GTPL4805; DTXSID2023436; BDBM22925; Pentostatin, >=95% (HPLC); BDBM223291; AMY10324; HY-A0006; ZINC3806262; Tox21_113417; MFCD00078802; s9521; AKOS024456918; AKOS032949742; CS-0374; DB00552; PB12063; NCGC00388420-02; Imidazo[4,5-d][1,3]diazepin-8-ol, 3-(2-deoxy-.beta.-D-erythro-pentofuranosyl)-3,4,7,8-tetrahydro-, (8R)-; AB0010579; CAS-53910-25-1; A3708; C02267; D00155; Q-4464; 910P251; Q425470; SR-01000883935; J-523899; SR-01000883935-1; Adenosine Deaminase Inhibitor, DCF - CAS 53910-25-1; Z2216208604; (8R)-3-(2-Deoxy-?-D-erythro-pentofuranosyl)-3,4,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-8-ol; (8R)-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H,4H,7H,8H-imidazo[4,5-d][1,3]diazepin-8-ol; (8R)-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-7,8-dihydro-6H-imidazo[4,5-d][1,3]diazepin-8-ol; (R,Z)-3-((2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-3,6,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-8-ol; Imidazo(4,5-d)(1,3)diazepin-8-ol, 3-(2-deoxy-beta-D-erythro-pentofuranosyl)-3,6,7,8-tetrahydro-, (R)-
Clinical Status
Approved
PubChem CID
439693
Formula
C11H16N4O4
Canonical SMILES
C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2NC=NC[C@H]3O)CO)O
InChI
1S/C11H16N4O4/c16-3-8-6(17)1-9(19-8)15-5-14-10-7(18)2-12-4-13-11(10)15/h4-9,16-18H,1-3H2,(H,12,13)/t6-,7+,8+,9+/m0/s1
InChIKey
FPVKHBSQESCIEP-JQCXWYLXSA-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=439693"></iframe>
3D MOL is unavailable 2D MOL
Physicochemical Properties Molecular Weight 268.27 Topological Polar Surface Area 112
XlogP -2.1 Complexity 356
Heavy Atom Count 19 Rotatable Bond Count 2
Hydrogen Bond Donor Count 4 Hydrogen Bond Acceptor Count 6
Full List of Drug Formulations (DFMs) Containing This API
          Pentostatin 10mg/vial injectable 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
Mannitol; Sodium Hydroxide; Hydrochloric Acid
                   Dosage Form Injectable
                   Company Hospira
                   DIG(s) with
                   Biological Activity
DIG Name DIG Info Representative Biological Activity of This DIG REF
Mannitol DIG Info Glycine receptor alpha-1 (EC50 = 12589.25 nM) [1]
Hydrochloric acid DIG Info Carbonic anhydrase V (Ki = 156 nM) [2]
References
1 Pharmacological property optimization for allosteric ligands: A medicinal chemistry perspective. Bioorg Med Chem Lett. 2017 Jun 1; 27(11):2239-2258.
2 Carbonic anhydrase inhibitors. Inhibition of the newly isolated murine isozyme XIII with anions. Bioorg Med Chem Lett. 2004 Nov 1; 14(21):5435-9.

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