Basic information
- CAS
55726-47-1- Standard SMILES
CCCCCCCCCCCCCCCCCCCCCC(=O)Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1- InChIKey
SAMRUMKYXPVKPA-UHFFFAOYSA-N- Molecular formula
- C31H55N3O6
- Average molar mass
- 565.8 g/mol
- Monoisotopic mass
- 565.40908648
Names & identifiers
- Preferred name
- Behenoyl-arabinofuranosyl-cytosine
- IUPAC
- N-[1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]docosanamide
- English name
- Enocitabine
- Molecular formula
- C31H55N3O6
- Molecular weight
- 565.78
Names & synonyms
BEHENOYL-ARABINOFURANOSYL-CYTOSINEBHACBH-ACSCHEMBL7963N-[1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]docosanamideCHEMBL1965199DOCOSANAMIDE,NUCLEOSIDE DERIVN-(1-((2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-2-oxo-1,2-dihydropyrimidin-4-yl)docosanamideAKOS015895202SB67389NCGC00167964-01NCI60_001919
Show more names
CS-1807SUNRABINNSC-239336ENOCITABINEEnocitabine APIBEHENOYLCYTOSINE ARABINOSIDEN4-Behenoylcytosine arabinosiden(sup4)-behenoylcytosinearabinosideENOCITABINE 98.5+% ANTINEOPLASTIC DRUGS
N4-BEHENOYL-1-B-D-ARABINOSYLCYTOSINENS00125216Docosanamide,2-dihydro-2-oxo-4-pyrimidinyl)-
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 9.2
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 23
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 774
Physicochemical properties
- Melting point
- 141 · 141-142°C
- alpha
- 70 ° · D +70° (c = 1 in THF, 22°)
- Boiling point
- 630.87 °C · 630.87°C (rough estimate)
- Density
- 1.0967 · 1.0967 (rough estimate)
- refractive index
- 1.78 · 1.7800 (estimate)
- storage temp.
- -20 °C · Keep in dark place,Sealed in dry,Store in freezer, under -20°C
- solubility
- DMSO (Slightly, Heated), Methanol (Slightly, Heated), THF (Slightly, Heated, Soncited)
- pka
- 10.14 · 10.14±0.20(Predicted)
- form
- Solid
- color
- White to Off-White
- CAS DataBase Reference
- 55726 · 55726-47-1(CAS DataBase Reference)
- FDA UNII
- 9 YVR68W306 · 9YVR68W306
Chemistry & industry
Applications
DescriptionEnocitabine (NSC-239336, BHAC) is an antileukemic agent closely related to cytarabine. It appears more resistant to deamination than cytarabine, thus allowing greater in vivo phosphorylation into an active cytotoxic metabolite. Enocitabine is lipophilic, but the drug does not enter the cerebrospinal fluid and is concentrated in the bone marrow and red blood cells. It can be administered orally and appears to be more effective than the parent compound in preclinical models.
UsesAn antineoplastic. A derivative of Cytarabine.
Suppliers47 total
北京华美互利生物化工010-56205725 · [email protected]
Zhengzhou Chemprize Biotech Co., Ltd.+86-86-0371-56768238 +86-15981919713 · [email protected]
成都彼样生物科技有限公司18108052721 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific[email protected]
LGM Pharma1-(800)-881-8210 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
杭州辅润医药科技有限公司15658004993 · [email protected]
InvivoChem中国
Related reactions
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Compound notes
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