Basic information
- CAS
64725-24-2- Standard SMILES
COc1ccc(C[C@H]2C(=O)N[C@H](C)C(=O)N(C)[C@@H]3Cc4ccc(cc4)Oc4cc(ccc4O)C[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N2C)N(C)C3=O)cc1- InChIKey
VXVGFMUNENQGFW-CRSALWQCSA-N- Molecular formula
- C40H48N6O9
- Average molar mass
- 756.8 g/mol
- Monoisotopic mass
- 756.34827713
Overview
CID 462402 has been reported in Rubia cordifolia with data available.
Names & identifiers
- Preferred name
- CID 462402
- IUPAC
- (1R,4S,7S,10S,13R,16R)-24-hydroxy-10-[(4-methoxyphenyl)methyl]-4,7,9,13,15,29-hexamethyl-22-oxa-3,6,9,12,15,29-hexazatetracyclo[14.12.2.218,21.123,27]tritriaconta-18,20,23,25,27(31),32-hexaene-2,5,8,11,14,30-hexone
- English name
- AIDS-032100
- Molecular formula
- C40H48N6O9
- Molecular weight
- 756.86
Names & synonyms
Bouvardin, 5-(N-methyl-L-tyrosine)-64725-24-2hydroxy-[(4-methoxyphenyl)methyl]-hexamethyl-[?]hexone(1R,4S,7S,10S,13R,16R)-24-Hydroxy-10-[(4-methoxyphenyl)methyl]-4,7,9,13,15,29-hexamethyl-22-oxa-3,6,9,12,15,29-hexazatetracyclo[14.12.2.218,21.123,27]tritriaconta-18,20,23,25,27(31),32-hexaene-2,5,8,11,14,30-hexoneRA VAIDS-032100DeoxybouvardinCyclo(D-alanyl-L-alanyl-N,O-dimethyl-L-tyrosyl-L-alanyl-N-methyl-L-tyrosyl-3-hydroxy-N-methyl-L-tyrosyl), cyclic (5→63)-ether
Database identifiers
- CAS
64725-24-2- PubChem CID
- 462402
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 187 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 3
- Heavy atoms
- 55
- Formal charge
- 0
- Complexity
- 1,400
Physicochemical properties
- Boiling point
- 1083.3 · 1083.3±65.0 °C(Predicted)
- Density
- 1.189 · 1.189±0.06 g/cm3(Predicted)
- pka
- 9.11 · 9.11±0.70(Predicted)
- form
- Solid
- color
- White to off-white
Chemistry & industry
Applications
UsesRA-V is a cyclic hexapeptide. RA-V has activity against Wnt, Myc and Notch with IC50 values of 50, 75, and 93 ng/mL, respectively. RA-V can be used for the research of cancer-related signaling pathways[1].
Suppliers5 total
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
武汉天植生物技术有限公司18607101326 15172504745 · [email protected]
EMMX Biotechnology LLC888-539-0666 · [email protected]
Alabiotech Inc.001-619-354-5251 · [email protected]
大连阿拉宁生物技术有限公司0411-39042497 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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