Igercine
TL;DR: Igercine (CAS 92891-56-0) is a chemical compound with molecular formula C39H70N14O12 and molecular weight 926.53 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-6-amino-2-[[2-[[(2S)-1-[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]propanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylbutanoyl]amino]-4-oxobutanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]hexanoic acid
Also Known As: Igercine, Ige C-terminal nonapeptide, L-Lysine, N2-(N-(1-(N2-(N-(N-(N-(N-L-arginyl-L-alanyl)-L-valyl)-L-seryl)-L-valyl)-L-asparaginyl)-L-prolyl)glycyl)-, L-arginyl-L-alanyl-L-valyl-L-seryl-L-valyl-L-asparaginyl-L-prolylglycyl-L-lysine, N~5~-(Diaminomethylidene)-L-ornithyl-L-alanyl-L-valyl-L-seryl-L-valyl-L-asparaginyl-L-prolylglycyl-L-lysine
| Molecular Formula | C39H70N14O12 |
|---|---|
| Molecular Weight | 926.53 g/mol |
| LogP | -7.2 |
| Topological Polar Surface Area | 441.0 Ų |
| Hydrogen Bond Donors | 14 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 29 |
| Exact Mass | 926.5298 |
| Heavy Atoms | 65 |
| Complexity | 1710.0 |
Chemical Identifiers
| CAS Number | 92891-56-0 |
|---|---|
| SMILES | C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CCCN=C(N)N)N |
| InChIKey | FLRLYDYDLREVOO-QBUMULATSA-N |
Product Overview
Igercine (CAS 92891-56-0), with molecular formula C39H70N14O12 and molecular weight 926.53 g/mol. IUPAC: (2S)-6-amino-2-[[2-[[(2S)-1-[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]propanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylbutanoyl]amino]-4-oxobutanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]hexanoic acid.
Chemical Property Profile of Igercine
Property Insights of Igercine
The XLogP value of -7.2 indicates that Igercine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 441.0 Ų indicates high polarity, suggesting Igercine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Igercine has 14 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Igercine?
The CAS number of Igercine is 92891-56-0.
What is the molecular formula of Igercine?
The molecular formula of Igercine is C39H70N14O12.
What is the molecular weight of Igercine?
The molecular weight of Igercine is 926.53 g/mol.
Where can I buy Igercine?
You can request a quote for Igercine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Igercine?
Yes, KEHONG BIO provides custom synthesis services for Igercine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.