Alanylalanyl-S-(4-(N-(2-thioethyl))aminopyridine-2,6-dicarboxylic acid)cysteine
TL;DR: Alanylalanyl-S-(4-(N-(2-thioethyl))aminopyridine-2,6-dicarboxylic acid)cysteine (CAS 88090-55-5) is a chemical compound with molecular formula C18H25N5O8S2 and molecular weight 503.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-[[(2R)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]-2-carboxyethyl]disulfanyl]ethylamino]pyridine-2,6-dicarboxylic acid
Also Known As: Ala-ala-cys-mepda, alanylalanyl-S-(4-(N- cysteine, Alanylalanyl-S-(4-(N-(2-thioethyl))aminopyridine-2,6-dicarboxylic acid)cysteine, L-Alanine, N-(N-L-alanyl-L-alanyl)-3-((2-((2,6-dicarboxy-4-pyridinyl)amino)ethyl)dithio)-, 4-[(2-{[(2R)-2-{[(2S)-2-{[(2S)-2-Amino-1-hydroxypropylidene]amino}-1-hydroxypropylidene]amino}-2-carboxyethyl]disulfanyl}ethyl)amino]pyridine-2,6-dicarboxylic acid
| Molecular Formula | C18H25N5O8S2 |
|---|---|
| Molecular Weight | 503.11 g/mol |
| LogP | -2.9 |
| Topological Polar Surface Area | 272.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 14 |
| Exact Mass | 503.11444 |
| Heavy Atoms | 33 |
| Complexity | 706.0 |
Chemical Identifiers
| CAS Number | 88090-55-5 |
|---|---|
| SMILES | C[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CSSCCNC1=CC(=NC(=C1)C(=O)O)C(=O)O)C(=O)O)N |
| InChIKey | XVIVGEVJDSWUPH-RVBZMBCESA-N |
Product Overview
Alanylalanyl-S-(4-(N-(2-thioethyl))aminopyridine-2,6-dicarboxylic acid)cysteine (CAS 88090-55-5), with molecular formula C18H25N5O8S2 and molecular weight 503.11 g/mol. IUPAC: 4-[2-[[(2R)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]-2-carboxyethyl]disulfanyl]ethylamino]pyridine-2,6-dicarboxylic acid.
Chemical Property Profile of Alanylalanyl-S-(4-(N-(2-thioethyl))aminopyridine-2,6-dicarboxylic acid)cysteine
Property Insights of Alanylalanyl-S-(4-(N-(2-thioethyl))aminopyridine-2,6-dicarboxylic acid)cysteine
The XLogP value of -2.9 indicates that Alanylalanyl-S-(4-(N-(2-thioethyl))aminopyridine-2,6-dicarboxylic acid)cysteine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 272.0 Ų indicates high polarity, suggesting Alanylalanyl-S-(4-(N-(2-thioethyl))aminopyridine-2,6-dicarboxylic acid)cysteine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Alanylalanyl-S-(4-(N-(2-thioethyl))aminopyridine-2,6-dicarboxylic acid)cysteine has 7 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Alanylalanyl-S-(4-(N-(2-thioethyl))aminopyridine-2,6-dicarboxylic acid)cysteine?
The CAS number of Alanylalanyl-S-(4-(N-(2-thioethyl))aminopyridine-2,6-dicarboxylic acid)cysteine is 88090-55-5.
What is the molecular formula of Alanylalanyl-S-(4-(N-(2-thioethyl))aminopyridine-2,6-dicarboxylic acid)cysteine?
The molecular formula of Alanylalanyl-S-(4-(N-(2-thioethyl))aminopyridine-2,6-dicarboxylic acid)cysteine is C18H25N5O8S2.
What is the molecular weight of Alanylalanyl-S-(4-(N-(2-thioethyl))aminopyridine-2,6-dicarboxylic acid)cysteine?
The molecular weight of Alanylalanyl-S-(4-(N-(2-thioethyl))aminopyridine-2,6-dicarboxylic acid)cysteine is 503.11 g/mol.
Where can I buy Alanylalanyl-S-(4-(N-(2-thioethyl))aminopyridine-2,6-dicarboxylic acid)cysteine?
You can request a quote for Alanylalanyl-S-(4-(N-(2-thioethyl))aminopyridine-2,6-dicarboxylic acid)cysteine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Alanylalanyl-S-(4-(N-(2-thioethyl))aminopyridine-2,6-dicarboxylic acid)cysteine?
Yes, KEHONG BIO provides custom synthesis services for Alanylalanyl-S-(4-(N-(2-thioethyl))aminopyridine-2,6-dicarboxylic acid)cysteine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.