Compound: pentostatin
SMILES: O1[C@@H](n2c3NC=NC[C@H](c3nc2)O)C[C@@H]([C@H]1CO)O
InChIKey: FPVKHBSQESCIEP-JQCXWYLXSA-N
Synonyms: pentostatin, Deoxycoformycin, Nipent, 53910-25-1, Pentostatina, Pentostatine, Pentostatinum, 2'-DCF, CO-Vidarabine, CI-825, YK-176, NSC-218321, PD 81565, PD-81565, DTXSID2023436, 395575MZO7, DTXCID403436, CI 825, (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, NSC218321, NSC 218321, (8R)-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-7,8-dihydro-4H-imidazo[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, CL 67310465, (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, Imidazo(4,5-d)(1,3)diazepin-8-ol, 3-(2-deoxy-beta-D-erythro-pentofuranosyl)-3,6,7,8-tetrahydro-, (R)-, (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)oxolan-2-yl)-3H,6H,7H,8H-imidazo(4,5-d)(1,3)diazepin-8-ol, (8R)-3-((2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl)-7,8-dihydro-4H-imidazo(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, 2' Deoxycoformycin, RefChem:57393, L01XX08, CI825, 637-271-5, Imidazo(4,5-d)(1,3)diazepin-8-ol, 3-(2-deoxy-beta-D-erythro-pentofuranosyl)-3,4,7,8-tetrahydro-, (R)-, Imidazo(4,5-d)(1,3)diazepin-8-ol, 3-(2-deoxy-D-erythro-pentofuranosyl)-3,4,7,8-tetrahydro-, (8R)-, Covidarabine, PD-ADI, 2'-Dexoycoformycin, Vira A deaminase inhibitor, MFCD00078802, (8R)-3-(2-deoxy-beta-D-erythro-pentofuranosyl)-3,6,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-8-ol, (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, NCGC00182045-01, Deaminase inhibitor (PD), dCF, (R)-3-(2-Deoxy-.beta.-D-erythro-pentofuranosyl)-3,6,7,8-tetrahydroimidazo(4,5-d)(1,3)diazepin-8-ol, (R)-2'-Deoxycoformycin, (R)-Deoxycoformycin, CI-825;Deoxycoformycin, 8R-2'-Deoxycoformycin, (8R)-3-(2-Deoxy-beta-D-erythro-pentofuranosyl)-3,4,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-8-ol, Pentostatine [INN-French], Pentostatinum [INN-Latin], Pentostatina [INN-Spanish], Pentostatin (JAN/USAN/INN), UNII-395575MZO7, CL-67310465, HSDB 6547, Pentostatin [USAN:INN:BAN:JAN], Pentostatin (PTN), BRN 1223097, Pentostatin (Standard), PENTOSTATIN [MI], PENTOSTATIN [INN], PENTOSTATIN [JAN], Deaminase, inhibitor for adenosine arabinoside, PENTOSTATIN [HSDB], PENTOSTATIN [USAN], PENTOSTATIN [VANDF], SCHEMBL2817, CHEMBL1580, PENTOSTATIN [MART.], PENTOSTATIN [WHO-DD], BIDD:GT0136, GTPL4805, SCHEMBL1649740, BDBM22925, CHEBI:27834, HY-A0006R, Pentostatin, >=95% (HPLC), PENTOSTATIN [ORANGE BOOK], BDBM223291, GLXC-05480, HY-A0006, Imidazo(4,5-d)(1,3)diazepin-8-ol, 3-(2-deoxy-.beta.-D-erythro-pentofuranosyl)-3,6,7,8-tetrahydro-, (R)-, Tox21_113417, EBC-08665, MSK164430, s9521, AKOS024456918, AKOS032949742, AD03945, CS-0374, DB00552, NCGC00388420-02, (8R)-3-(2-Deoxy-?-D-erythro-pentofuranosyl)-3,4,7,8-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)-3,4,7,8-tetrahydro-, (8R)-, CAS-53910-25-1, NS00005086, C02267, D00155, EN300-222177, Q425470, SR-01000883935, SR-01000883935-1, BRD-K91543828-001-02-0, Adenosine Deaminase Inhibitor, DCF - CAS 53910-25-1, Z2204459563, (8R)-3-(2-Deoxy-b-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)tetrahydrofuran-2-yl]-7,8-dihydro-6H-imidazo[4,5-d][1,3]diazepin-8-ol, (R)-3-((2R,4S,5R)-4-Hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-3,6,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-8-ol
Theoretical properties:
molecular_formula: C11H16N4O4
molecular_weight: 268.27 g/mol
exact_mass: 268.11715500 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 4
hydrogen_bond_acceptor_count: 6
rotatable_bond_count: 2
heavy_atom_count: 19
topological_polar_surface_area: 112 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: White crystals from methanol/water
color: White crystals from methanol/water
Descriptions:
pubchem: Pentostatin can cause developmental toxicity according to state or federal government labeling requirements.
chebi: A member of the class of coformycins that is coformycin in which the hydroxy group at position 2' is replaced with a hydrogen. It is a drug used for the treatment of hairy cell leukaemia.
chembl: PENTOSTATIN is a small molecule listed in the ChEMBL database and has reached clinical trial phase 4.0.
wikipedia: Pentostatin (or 2′-deoxycoformycin, trade name Nipent, manufactured by SuperGen) is an anticancer chemotherapeutic drug.