培洛霉素
TL;DR: 培洛霉素 (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.
培洛霉素
[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
培洛霉素 (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 培洛霉素
Property Insights of 培洛霉素
The XLogP value of -6.7 indicates that 培洛霉素 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 696.0 Ų indicates high polarity, suggesting 培洛霉素 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Bleomycin 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 Bleomycin PEP?
The CAS number of Bleomycin PEP is 68247-85-8.
What is the molecular formula of Bleomycin PEP?
The molecular formula of Bleomycin PEP is C61H88N18O21S2.
What is the molecular weight of Bleomycin PEP?
The molecular weight of Bleomycin PEP is 1472.58 g/mol.
Where can I buy Bleomycin PEP?
You can request a quote for Bleomycin PEP directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bleomycin PEP?
Yes, KEHONG BIO provides custom synthesis services for Bleomycin PEP and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.