Basic information
- CAS
43111-51-9- Standard SMILES
CCOC(=O)c1ccc(N(C)Cc2cnc3nc(N)nc(N)c3n2)cc1- InChIKey
BDYWKUSEZMEPPR-UHFFFAOYSA-N- Molecular formula
- C17H19N7O2
- Average molar mass
- 353.4 g/mol
- Monoisotopic mass
- 353.16002287
Names & identifiers
- Preferred name
- Ethyl 4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoate
- IUPAC
- ethyl 4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoate
- English name
- DAMPA Ethyl Ester
- Molecular formula
- C17H19N7O2
- Molecular weight
- 353.38
Names & synonyms
DAMPA Ethyl Ester43111-51-9ethyl 4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoateEthyl 4-(((2,4-diaminopteridin-6-yl)methyl)(methyl)amino)benzoateethyl 4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}benzoate4-[[(2,4-Diamino-6-pteridinyl)methyl]methylamino]benzoic Acid Ethyl Ester; Ethyl p-[[(2,4-Diamino-6-pteridinyl)methyl]methylamino]benzoate; NSC 694477;NSC694477CHEMBL1977489DTXSID10327851ZINC04627871NSC-694477NCI60_033805
Show more names
NSC 694477Ethyl p-[[(2,4-DiaMino-6-pteridinyl)Methyl]MethylaMino]benzoate4-[[(2,4-DiaMino-6-pteridinyl)Methyl]MethylaMino]benzoic Acid Ethyl EsterBenzoic acid, 4-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]-, ethyl ester
Database identifiers
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 133 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 472
Physicochemical properties
- solubility
- DMSO
- form
- Solid
- color
- Yellow
Chemistry & industry
Applications
UsesA Methotrexate analog with altered ester group.
Suppliers8 total
上海陶素生化科技有限公司021-33632979 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
BOC Sciences16314854226 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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