Basic information
- CAS
23853-09-0- Standard SMILES
COC(=O)c1ccc(N(C)Cc2cnc3nc(N)nc(N)c3n2)cc1- InChIKey
FBFNJDZYIIOJMK-UHFFFAOYSA-N- Molecular formula
- C16H17N7O2
- Average molar mass
- 339.35 g/mol
- Monoisotopic mass
- 339.14437281
Names & identifiers
- Preferred name
- DAMPA Methyl Ester
- IUPAC
- methyl 4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoate
- English name
- DAMPA Methyl Ester
- Molecular formula
- C16H17N7O2
- Molecular weight
- 339.35
Names & synonyms
DAMPA Methyl Ester23853-09-0methyl 4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}benzoatemethyl 4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoateMethyl 4-(((2,4-diaminopteridin-6-yl)methyl)(methyl)amino)benzoate4-[[(2,4-Diamino-6-pteridinyl)methyl]methylamino]benzoic Acid Methyl Ester; Methyl 4-Amino-4-deoxy-10-methyl Pteroate; NSC 133722;NSC133722CHEMBL175324orb3174453DTXSID70299929AKOS030254661NSC-133722
Show more names
NSC 133722Methyl 4-AMino-4-deoxy-10-Methyl Pteroate4-[[(2,4-DiaMino-6-pteridinyl)Methyl]MethylaMino]benzoic Acid Methyl EsterBenzoic acid, 4-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]-, methyl ester
Benzoic acid,4-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]-, methyl ester
Database identifiers
- CAS
23853-09-0
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 133 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 458
Physicochemical properties
- Melting point
- 250 °C · .250°C (dec.)
- Boiling point
- 639 · 639.0±65.0 °C(Predicted)
- Density
- 1.428 · 1.428±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C Freezer
- solubility
- DMSO
- form
- Solid
- pka
- 5.56 · 5.56±0.10(Predicted)
- color
- Yellow
Chemistry & industry
Applications
UsesA Methotrexate analog with altered ester group.
Upstream & downstream products
Upstream raw materials
Suppliers7 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
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凯试（上海）科技有限公司021-50135380 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [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]
资川生化科技(苏州)有限公司0512-66317708 13372112871 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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