Methylsulfonamido-bleomycin A2
TL;DR: Methylsulfonamido-bleomycin A2 (CAS 70476-13-0) is a chemical compound with molecular formula C56H86N17O23S4+ and molecular weight 1492.50 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[5-[2-[2-[[2-[[4-[[2-[[6-amino-2-[3-amino-1-[[3-amino-2-(methanesulfonamido)-3-oxopropyl]amino]-3-oxopropyl]-5-methylpyrimidine-4-carbonyl]amino]-3-[3-[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: Methylsulfonamido-bleomycin A2, N1-(3-(Dimethylsulfonio)propyl)-N38-(methylsulfonyl)bleomycinamide, Bleomycinamide, N1-(3-(dimethylsulfonio)propyl)-N38-(methylsulfonyl)-, 3-[[5-[2-[2-[[2-[[4-[[2-[[6-amino-2-[3-amino-1-[[3-amino-2-(methanesulfonamido)-3-oxopropyl]amino]-3-oxopropyl]-5-methylpyrimidine-4-carbonyl]amino]-3-[3-[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 | C56H86N17O23S4+ |
|---|---|
| Molecular Weight | 1492.50 g/mol |
| LogP | -7.4 |
| Topological Polar Surface Area | 713.0 Ų |
| Hydrogen Bond Donors | 20 |
| Hydrogen Bond Acceptors | 33 |
| Rotatable Bonds | 38 |
| Exact Mass | 1492.4966 |
| Heavy Atoms | 100 |
| Complexity | 2840.0 |
Chemical Identifiers
| CAS Number | 70476-13-0 |
|---|---|
| SMILES | CC1=C(N=C(N=C1N)C(CC(=O)N)NCC(C(=O)N)NS(=O)(=O)C)C(=O)NC(C(C2=CN=CN2)OC3C(C(C(C(O3)CO)O)O)OC4C(C(C(C(O4)CO)O)OC(=O)N)O)C(=O)NC(C)C(C(C)C(=O)NC(C(C)O)C(=O)NCCC5=NC(=CS5)C6=C(N=CS6)C(=O)NCCC[S+](C)C)O |
| InChIKey | KFCKSIJGYQOIMF-UHFFFAOYSA-O |
Product Overview
Methylsulfonamido-bleomycin A2 (CAS 70476-13-0), with molecular formula C56H86N17O23S4+ and molecular weight 1492.50 g/mol. IUPAC: 3-[[5-[2-[2-[[2-[[4-[[2-[[6-amino-2-[3-amino-1-[[3-amino-2-(methanesulfonamido)-3-oxopropyl]amino]-3-oxopropyl]-5-methylpyrimidine-4-carbonyl]amino]-3-[3-[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 Methylsulfonamido-bleomycin A2
Property Insights of Methylsulfonamido-bleomycin A2
The XLogP value of -7.4 indicates that Methylsulfonamido-bleomycin A2 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 713.0 Ų indicates high polarity, suggesting Methylsulfonamido-bleomycin A2 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Methylsulfonamido-bleomycin A2 has 20 hydrogen bond donor(s) and 33 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methylsulfonamido-bleomycin A2?
The CAS number of Methylsulfonamido-bleomycin A2 is 70476-13-0.
What is the molecular formula of Methylsulfonamido-bleomycin A2?
The molecular formula of Methylsulfonamido-bleomycin A2 is C56H86N17O23S4+.
What is the molecular weight of Methylsulfonamido-bleomycin A2?
The molecular weight of Methylsulfonamido-bleomycin A2 is 1492.50 g/mol.
Where can I buy Methylsulfonamido-bleomycin A2?
You can request a quote for Methylsulfonamido-bleomycin A2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methylsulfonamido-bleomycin A2?
Yes, KEHONG BIO provides custom synthesis services for Methylsulfonamido-bleomycin A2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.