Talisomycin S(sub 2b)
TL;DR: Talisomycin S(sub 2b) (CAS 76095-62-0) is a chemical compound with molecular formula C60H93N18O26S3+ and molecular weight 1577.57 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[2-[2-[2-[[2-[[4-[[2-[[6-amino-2-[3-amino-1-[(2,3-diamino-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-hydroxypentanoyl]amino]-3-hydroxybutanoyl]amino]-2-(5-amino-3,4-dihydroxy-6-methyloxan-2-yl)oxy-1-hydroxyethyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carbonyl]amino]propyl-dimethylsulfanium
Also Known As: Talisomycin S2b, Talisomycin S(sub 2b), Bleomycinamide, 13-((4-amino-4,6-dideoxy-alpha-L-talopyranosyl)oxy)-19-demethyl-N(sup 1)-(3-(dimethylsulfonio)propyl)-12-hydroxy-, 3-[[2-[2-[2-[[2-[[4-[[2-[[6-amino-2-[3-amino-1-[(2,3-diamino-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-hydroxypentanoyl]amino]-3-hydroxybutanoyl]amino]-2-(5-amino-3,4-dihydroxy-6-methyloxan-2-yl)oxy-1-hydroxyethyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carbonyl]amino]propyl-dimethylsulfanium
| Molecular Formula | C60H93N18O26S3+ |
|---|---|
| Molecular Weight | 1577.57 g/mol |
| LogP | -11.0 |
| Topological Polar Surface Area | 790.0 Ų |
| Hydrogen Bond Donors | 24 |
| Hydrogen Bond Acceptors | 37 |
| Rotatable Bonds | 38 |
| Exact Mass | 1577.567 |
| Heavy Atoms | 107 |
| Complexity | 2940.0 |
Chemical Identifiers
| CAS Number | 76095-62-0 |
|---|---|
| SMILES | CC1C(C(C(C(O1)OC(C(C2=NC(=CS2)C3=NC(=CS3)C(=O)NCCC[S+](C)C)O)NC(=O)C(C(C)O)NC(=O)CC(C(C)NC(=O)C(C(C4=CN=CN4)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)O)OC(=O)N)O)NC(=O)C7=C(C(=NC(=N7)C(CC(=O)N)NCC(C(=O)N)N)N)C)O)O)O)N |
| InChIKey | XFBMULDBVBSTQB-UHFFFAOYSA-O |
Product Overview
Talisomycin S(sub 2b) (CAS 76095-62-0), with molecular formula C60H93N18O26S3+ and molecular weight 1577.57 g/mol. IUPAC: 3-[[2-[2-[2-[[2-[[4-[[2-[[6-amino-2-[3-amino-1-[(2,3-diamino-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-hydroxypentanoyl]amino]-3-hydroxybutanoyl]amino]-2-(5-amino-3,4-dihydroxy-6-methyloxan-2-yl)oxy-1-hydroxyethyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carbonyl]amino]propyl-dimethylsulfanium.
Chemical Property Profile of Talisomycin S(sub 2b)
Property Insights of Talisomycin S(sub 2b)
The XLogP value of -11.0 indicates that Talisomycin S(sub 2b) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 790.0 Ų indicates high polarity, suggesting Talisomycin S(sub 2b) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Talisomycin S(sub 2b) has 24 hydrogen bond donor(s) and 37 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Talisomycin S(sub 2b)?
The CAS number of Talisomycin S(sub 2b) is 76095-62-0.
What is the molecular formula of Talisomycin S(sub 2b)?
The molecular formula of Talisomycin S(sub 2b) is C60H93N18O26S3+.
What is the molecular weight of Talisomycin S(sub 2b)?
The molecular weight of Talisomycin S(sub 2b) is 1577.57 g/mol.
Where can I buy Talisomycin S(sub 2b)?
You can request a quote for Talisomycin S(sub 2b) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Talisomycin S(sub 2b)?
Yes, KEHONG BIO provides custom synthesis services for Talisomycin S(sub 2b) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.