Deamido bleomycin A2
TL;DR: Deamido bleomycin A2 (CAS 65154-36-1) is a chemical compound with molecular formula C55H83N16O22S3+ and molecular weight 1415.50 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)-4-[[(2S,3R)-2-[[6-amino-2-[(1S)-3-amino-1-[[(2S)-2-amino-2-carboxyethyl]amino]-3-oxopropyl]-5-methylpyrimidine-4-carbonyl]amino]-3-[(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: Deamido bleomycin A2, Isononyl formate, 3-[[2-[2-[2-[[(2S,3R)-2-[[(2S,3S)-4-[[(2S,3R)-2-[[6-Amino-2-[(1S)-3-amino-1-[[(2S)-2-amino-2-carboxyethyl]amino]-3-oxopropyl]-5-methylpyrimidine-4-carbonyl]amino]-3-[(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, 3-[[2-[2-[2-[[(2S,3R)-2-[[(2S,3S)-4-[[(2S,3R)-2-[[6-amino-2-[(1S)-3-amino-1-[[(2S)-2-amino-3-hydroxy-3-oxopropyl]amino]-3-oxopropyl]-5-methylpyrimidine-4-carbonyl]amino]-3-[(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 | C55H83N16O22S3+ |
|---|---|
| Molecular Weight | 1415.50 g/mol |
| LogP | -7.10428 |
| Topological Polar Surface Area | 621.28 Ų |
| Hydrogen Bond Donors | 20 |
| Hydrogen Bond Acceptors | 31 |
| Rotatable Bonds | 35 |
| Exact Mass | 1415.503 |
| Heavy Atoms | 96 |
| Complexity | 3280.162 |
Chemical Identifiers
| CAS Number | 65154-36-1 |
|---|---|
| SMILES | CC1=C(N=C(N=C1N)[C@H](CC(=O)N)NC[C@@H](C(=O)O)N)C(=O)N[C@@H]([C@H](C2=CN=CN2)OC3[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)NC(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
Deamido bleomycin A2 (CAS 65154-36-1), with molecular formula C55H83N16O22S3+ and molecular weight 1415.50 g/mol. IUPAC: 3-[[2-[2-[2-[[(2S,3R)-2-[[(2S,3S)-4-[[(2S,3R)-2-[[6-amino-2-[(1S)-3-amino-1-[[(2S)-2-amino-2-carboxyethyl]amino]-3-oxopropyl]-5-methylpyrimidine-4-carbonyl]amino]-3-[(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 Deamido bleomycin A2
Property Insights of Deamido bleomycin A2
The XLogP value of -7.10428 indicates that Deamido bleomycin A2 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 621.28 Ų indicates high polarity, suggesting Deamido bleomycin A2 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Deamido bleomycin 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 Deamido bleomycin A2?
The CAS number of Deamido bleomycin A2 is 65154-36-1.
What is the molecular formula of Deamido bleomycin A2?
The molecular formula of Deamido bleomycin A2 is C55H83N16O22S3+.
What is the molecular weight of Deamido bleomycin A2?
The molecular weight of Deamido bleomycin A2 is 1415.50 g/mol.
Where can I buy Deamido bleomycin A2?
You can request a quote for Deamido bleomycin A2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Deamido bleomycin A2?
Yes, KEHONG BIO provides custom synthesis services for Deamido bleomycin A2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.