Tallysomycin S3b copper complex
TL;DR: Tallysomycin S3b copper complex (CAS 77368-72-0) is a chemical compound with molecular formula C57H87N19O26S2 and molecular weight 1517.55 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[2-[2-[[6-amino-2-[3-amino-1-[(2,3-diamino-3-oxopropyl)amino]-3-oxopropyl]-5-methylpyrimidine-4-carbonyl]amino]-3-[[5-[[1-[[1-(5-amino-3,4-dihydroxy-6-methyloxan-2-yl)oxy-2-[4-[4-(2-aminoethylcarbamoyl)-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]-2-hydroxyethyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-5-oxopentan-2-yl]amino]-1-(1H-imidazol-5-yl)-3-oxopropoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] carbamate
Also Known As: Tallysomycin S3b copper complex, Tallysomycin S(sub 3b) copper complex, Bleomycinamide, 13-((4-amino-4,6-dideoxy-alpha-L-talopyranosyl)oxy)-N(sup 1)-(2-aminoethyl)-19-demethyl-12-hydroxy-, copper complex, [2-[2-[2-[[6-amino-2-[3-amino-1-[(2,3-diamino-3-oxopropyl)amino]-3-oxopropyl]-5-methylpyrimidine-4-carbonyl]amino]-3-[[5-[[1-[[1-(5-amino-3,4-dihydroxy-6-methyloxan-2-yl)oxy-2-[4-[4-(2-aminoethylcarbamoyl)-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]-2-hydroxyethyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-5-oxopentan-2-yl]amino]-1-(1H-imidazol-5-yl)-3-oxopropoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] carbamate, [2-[2-[2-[[6-amino-2-[3-amino-1-[(2,3-diamino-3-oxopropyl)amino]-3-oxopropyl]-5-methylpyrimidine-4-carbonyl]amino]-3-[[5-[[1-[[1-(5-amino-3,4-dihydroxy-6-methyloxan-2-yl)oxy-2-[4-[4-(2-aminoethylcarbamoyl)-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]-2-hydroxyethyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-5-oxopentan-2-yl]amino]-1-(3h-imidazol-4-yl)-3-oxopropoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] carbamate
| Molecular Formula | C57H87N19O26S2 |
|---|---|
| Molecular Weight | 1517.55 g/mol |
| LogP | -11.63138 |
| Topological Polar Surface Area | 758.26 Ų |
| Hydrogen Bond Donors | 25 |
| Hydrogen Bond Acceptors | 38 |
| Rotatable Bonds | 35 |
| Exact Mass | 1517.5511 |
| Heavy Atoms | 104 |
| Complexity | 3570.5352 |
Chemical Identifiers
| CAS Number | 77368-72-0 |
|---|---|
| SMILES | CC1C(C(C(C(O1)OC(C(C2=NC(=CS2)C3=NC(=CS3)C(=O)NCCN)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 |
Product Overview
Tallysomycin S3b copper complex (CAS 77368-72-0), with molecular formula C57H87N19O26S2 and molecular weight 1517.55 g/mol. IUPAC: [2-[2-[2-[[6-amino-2-[3-amino-1-[(2,3-diamino-3-oxopropyl)amino]-3-oxopropyl]-5-methylpyrimidine-4-carbonyl]amino]-3-[[5-[[1-[[1-(5-amino-3,4-dihydroxy-6-methyloxan-2-yl)oxy-2-[4-[4-(2-aminoethylcarbamoyl)-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]-2-hydroxyethyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-5-oxopentan-2-yl]amino]-1-(1H-imidazol-5-yl)-3-oxopropoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] carbamate.
Chemical Property Profile of Tallysomycin S3b copper complex
Property Insights of Tallysomycin S3b copper complex
The XLogP value of -11.63138 indicates that Tallysomycin S3b copper complex is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 758.26 Ų indicates high polarity, suggesting Tallysomycin S3b copper complex may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Tallysomycin S3b copper complex has 25 hydrogen bond donor(s) and 38 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Tallysomycin S3b copper complex?
The CAS number of Tallysomycin S3b copper complex is 77368-72-0.
What is the molecular formula of Tallysomycin S3b copper complex?
The molecular formula of Tallysomycin S3b copper complex is C57H87N19O26S2.
What is the molecular weight of Tallysomycin S3b copper complex?
The molecular weight of Tallysomycin S3b copper complex is 1517.55 g/mol.
Where can I buy Tallysomycin S3b copper complex?
You can request a quote for Tallysomycin S3b copper complex directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tallysomycin S3b copper complex?
Yes, KEHONG BIO provides custom synthesis services for Tallysomycin S3b copper complex and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.