Basic information
- CAS
72564-74-0- Standard SMILES
CSc1nc(Nc2ccccc2)c2cccnc2n1- InChIKey
AKKYLKUKNGKEGT-UHFFFAOYSA-N- Molecular formula
- C14H12N4S
- Average molar mass
- 268.34 g/mol
- Monoisotopic mass
- 268.07826757
Overview
RN given refers to parent cpd
Names & identifiers
- Preferred name
- MD 39-AM
- IUPAC
- 2-methylsulfanyl-N-phenylpyrido[2,3-d]pyrimidin-4-amine
- English name
- MD 39-AM
- Molecular formula
- C14H12N4S
- Molecular weight
- 268.34
Names & synonyms
72564-74-0MD 39-AMMD-39-AMDTXSID00222881RefChem:156110DTXCID301453722-methylsulfanyl-N-phenylpyrido[2,3-d]pyrimidin-4-amine4-Anilino-2-methylthiopyrido(2,3-d)pyrimidine2-(METHYLTHIO)-N-PHENYLPYRIDO[2,3-D]PYRIMIDIN-4-AMINE2-(Methylthio)-N-phenylpyrido(2,3-d)pyrimidin-4-amine2-(methylsulfanyl)-N-phenylpyrido[2,3-d]pyrimidin-4-amineBRN 0540958
Show more names
MD 39AM,MD 39 AMMD 39-AM, 10 mM in DMSO4-[Anilino]-2-(methylthio)pyrido[2,3-d]pyrimidinePyrido[2,3-d]pyrimidin-4-amine, 2-(methylthio)-N-phenyl-
CHEMBL154009orb1223065orb1304167SCHEMBL7902892Pyrido[2,3-d]pyrimidin-4-amine,2-(methylthio)-N-phenyl-GLXC-10502Pyrido(2,3-d)pyrimidin-4-amine, 2-(methylthio)-N-phenyl-MFCD01690138
Database identifiers
- CAS
72564-74-0- PubChem CID
- 175083
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 76 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 283
Physicochemical properties
- Boiling point
- 486.8 · 486.8±53.0 °C(Predicted)
- Density
- 1.33 · 1.33±0.1 g/cm3(Predicted)
- pka
- 3.7 · 3.70±0.30(Predicted)
Chemistry & industry
Applications
UsesMD-39-AM exhibits antihypertensive, diuretic and saliuretic activities with good in vivo pharmacokinetic characters[1][2].
Upstream & downstream products
Upstream raw materials
Suppliers16 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
学研惠（武汉）科技有限公司15727060112 · [email protected]
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
凯美赛尔生物医药有限公司020-13556033878 2965585218 13556033878 · [email protected]
合肥恩立医药科技有限公司0551-66399836 18955197623 · [email protected]
南京凯姆铂医药科技有限公司025-66162170
华阴市赛普生物科技有限公司13892502238 · [email protected]
上海与昂生物科技有限公司021-58111628 15800915896 · [email protected]
上海凯裕医药科技有限公司17317130613 · [email protected]
Related reactions
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No reaction records under the current filter.
Compound notes
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