Epibleomycin A2
TL;DR: Epibleomycin A2 (CAS 62624-79-7) is a chemical compound with molecular formula C55H84N17O21S3+ and molecular weight 1414.52 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[2-[2-[2-[[(2S,3R)-2-[[(2S,3S,4R)-4-[[(2S,3R)-2-[[6-amino-2-[3-amino-1-[[(2S)-2,3-diamino-3-oxopropyl]amino]-3-oxopropyl]-5-methylpyrimidine-4-carbonyl]amino]-3-[(2R,3S,4S,5S,6S)-3-[(2R,3S,4S,5R,6R)-4-carbamoyloxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxy-2-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]ethyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carbonyl]amino]propyl-dimethylsulfanium
Also Known As: Epibleomycin A2, Bleomycin A2 & Bleomycin B2., Bleomycinamide, N'-(3-(dimethylsulfonio)propyl)-, (33R)-, 3-[[2-[2-[2-[[(2S,3R)-2-[[(2S,3S,4R)-4-[[(2S,3R)-2-[[6-amino-2-[3-amino-1-[[(2S)-2,3-diamino-3-oxopropyl]amino]-3-oxopropyl]-5-methylpyrimidine-4-carbonyl]amino]-3-[(2R,3S,4S,5S,6S)-3-[(2R,3S,4S,5R,6R)-4-carbamoyloxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxy-2-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]ethyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carbonyl]amino]propyl-dimethylsulfanium
| Molecular Formula | C55H84N17O21S3+ |
|---|---|
| Molecular Weight | 1414.52 g/mol |
| LogP | -7.70358 |
| Topological Polar Surface Area | 627.07 Ų |
| Hydrogen Bond Donors | 20 |
| Hydrogen Bond Acceptors | 31 |
| Rotatable Bonds | 35 |
| Exact Mass | 1414.5189 |
| Heavy Atoms | 96 |
| Complexity | 3280.5442 |
Chemical Identifiers
| CAS Number | 62624-79-7 |
|---|---|
| SMILES | CC1=C(N=C(N=C1N)C(CC(=O)N)NC[C@@H](C(=O)N)N)C(=O)N[C@@H]([C@H](C2=CN=CN2)O[C@H]3[C@H]([C@H]([C@@H]([C@@H](O3)CO)O)O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)OC(=O)N)O)C(=O)N[C@H](C)[C@H]([C@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCC[S+](C)C)O |
Product Overview
Epibleomycin A2 (CAS 62624-79-7), with molecular formula C55H84N17O21S3+ and molecular weight 1414.52 g/mol. IUPAC: 3-[[2-[2-[2-[[(2S,3R)-2-[[(2S,3S,4R)-4-[[(2S,3R)-2-[[6-amino-2-[3-amino-1-[[(2S)-2,3-diamino-3-oxopropyl]amino]-3-oxopropyl]-5-methylpyrimidine-4-carbonyl]amino]-3-[(2R,3S,4S,5S,6S)-3-[(2R,3S,4S,5R,6R)-4-carbamoyloxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxy-2-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]ethyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carbonyl]amino]propyl-dimethylsulfanium.
Chemical Property Profile of Epibleomycin A2
Property Insights of Epibleomycin A2
The XLogP value of -7.70358 indicates that Epibleomycin A2 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 627.07 Ų indicates high polarity, suggesting Epibleomycin A2 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Epibleomycin A2 has 20 hydrogen bond donor(s) and 31 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Epibleomycin A2?
The CAS number of Epibleomycin A2 is 62624-79-7.
What is the molecular formula of Epibleomycin A2?
The molecular formula of Epibleomycin A2 is C55H84N17O21S3+.
What is the molecular weight of Epibleomycin A2?
The molecular weight of Epibleomycin A2 is 1414.52 g/mol.
Where can I buy Epibleomycin A2?
You can request a quote for Epibleomycin A2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Epibleomycin A2?
Yes, KEHONG BIO provides custom synthesis services for Epibleomycin A2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.