博来霉素PEP
TL;DR: 博来霉素PEP (CAS 68247-85-8) is a chemical compound with molecular formula C61H88N18O21S2 and molecular weight 1472.58 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
博来霉素PEP
[2-[2-[2-[[6-amino-2-[3-amino-1-[(2,3-diamino-3-oxopropyl)amino]-3-oxopropyl]-5-methylpyrimidine-4-carbonyl]amino]-3-[[3-hydroxy-5-[[3-hydroxy-1-oxo-1-[2-[4-[4-[3-(1-phenylethylamino)propylcarbamoyl]-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]ethylamino]butan-2-yl]amino]-4-methyl-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: Pepleo, Bleomycin PEP, Bleomycin PEP; Pepleomycin, [2-[2-[2-[[6-amino-2-[3-amino-1-[(2,3-diamino-3-oxopropyl)amino]-3-oxopropyl]-5-methylpyrimidine-4-carbonyl]amino]-3-[[3-hydroxy-5-[[3-hydroxy-1-oxo-1-[2-[4-[4-[3-(1-phenylethylamino)propylcarbamoyl]-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]ethylamino]butan-2-yl]amino]-4-methyl-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
| Molecular Formula | C61H88N18O21S2 |
|---|---|
| Molecular Weight | 1472.58 g/mol |
| LogP | -6.7 |
| Topological Polar Surface Area | 696.0 Ų |
| Hydrogen Bond Donors | 21 |
| Hydrogen Bond Acceptors | 32 |
| Rotatable Bonds | 38 |
| Exact Mass | 1472.5813 |
| Heavy Atoms | 102 |
| Complexity | 2740.0 |
Chemical Identifiers
| CAS Number | 68247-85-8 |
|---|---|
| SMILES | CC1=C(N=C(N=C1N)C(CC(=O)N)NCC(C(=O)N)N)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=NC(=CS6)C(=O)NCCCNC(C)C7=CC=CC=C7)O |
| InChIKey | QIMGFXOHTOXMQP-UHFFFAOYSA-N |
Product Overview
博来霉素PEP (CAS 68247-85-8), with molecular formula C61H88N18O21S2 and molecular weight 1472.58 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-[[3-hydroxy-5-[[3-hydroxy-1-oxo-1-[2-[4-[4-[3-(1-phenylethylamino)propylcarbamoyl]-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]ethylamino]butan-2-yl]amino]-4-methyl-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 博来霉素PEP
Property Insights of 博来霉素PEP
The XLogP value of -6.7 indicates that 博来霉素PEP is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 696.0 Ų indicates high polarity, suggesting 博来霉素PEP may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 博来霉素PEP has 21 hydrogen bond donor(s) and 32 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 博来霉素PEP?
The CAS number of 博来霉素PEP is 68247-85-8.
What is the molecular formula of 博来霉素PEP?
The molecular formula of 博来霉素PEP is C61H88N18O21S2.
What is the molecular weight of 博来霉素PEP?
The molecular weight of 博来霉素PEP is 1472.58 g/mol.
Where can I buy 博来霉素PEP?
You can request a quote for 博来霉素PEP directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 博来霉素PEP?
Yes, KEHONG BIO provides custom synthesis services for 博来霉素PEP and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.