CA-074 methyl ester is a cell-permeable analog of CA-074 that acts as an irreversible cathepsin B inhibitor. CA-074 methyl ester is reported to inhibit bone reabsorption in rodent models and shown to inhibit B16 melanoma cell invasion|in vitro|.

Specifications

同義語

仕様と純度

≥97%

生化学的・生理学的メカニズム

CA-074 methyl ester is a cell-permeable analog of CA-074. It is an inhibitor of cathepsin B, especially the intracellular form, and can be converted into active CA-074 intracellularly by esterase action. CA-074 methyl ester also inhibits cathepsin L.

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

アクションタイプ

INHIBITOR

純度

≥97%

名前と識別子

パブケム・シド	504764302
パブケム・シド・ウル	https://pubchem.ncbi.nlm.nih.gov/substance/504764302
カノニカル・スマイル	CCCNC(=O)C1C(O1)C(=O)NC(C(C)CC)C(=O)N2CCCC2C(=O)OC
IUPAC Name	methyl (2S)-1-[(2S,3S)-3-methyl-2-[[(2S,3S)-3-(propylcarbamoyl)oxirane-2-carbonyl]amino]pentanoyl]pyrrolidine-2-carboxylate
InChIKey	XGWSRLSPWIEMLQ-YTFOTSKYSA-N
INCHI	1S/C19H31N3O6/c1-5-9-20-16(23)14-15(28-14)17(24)21-13(11(3)6-2)18(25)22-10-7-8-12(22)19(26)27-4/h11-15H,5-10H2,1-4H3,(H,20,23)(H,21,24)/t11-,12-,13-,14-,15-/m0/s1
異性体SMILES	CCCNC(=O)[C@@H]1[C@H](O1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N2CCC[C@H]2C(=O)OC
WGKドイツ	3
分子量	397.47
Reaxy-Rn	25187464
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=25187464&ln=

Documentation

📋 Safety Data Sheet (SDS)

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✅ Certificate of Analysis (COA)

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📊 Datasheet

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🔬 Specification Sheet

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Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - 分類 Carboxylic acids and derivatives
    - Subclass Amino acids, peptides, and analogues

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
分類	Carboxylic acids and derivatives
Subclass	Amino acids, peptides, and analogues
Intermediate Tree Nodes	Not available
Direct Parent	Peptides
Alternative Parents	Isoleucine and derivatives Alpha amino acid esters Proline and derivatives N-acyl-alpha amino acids Alpha amino acid amides Pyrrolidine carboxylic acids N-acylpyrrolidines Oxirane carboxylic acids and derivatives Methyl esters Tertiary carboxylic acid amides Secondary carboxylic acid amides Oxacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Azacyclic compounds Organic oxides Organopnictogen compounds Hydrocarbon derivatives Carbonyl compounds Organonitrogen compounds
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	Alpha peptide - Isoleucine or derivatives - N-acyl-alpha amino acid or derivatives - N-acyl-alpha-amino acid - Alpha-amino acid ester - Proline or derivatives - Alpha-amino acid amide - Alpha-amino acid or derivatives - N-acylpyrrolidine - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Oxirane carboxylic acid or derivatives - Methyl ester - Tertiary carboxylic acid amide - Pyrrolidine - Carboxylic acid ester - Secondary carboxylic acid amide - Carboxamide group - Dialkyl ether - Oxirane - Ether - Monocarboxylic acid or derivatives - Oxacycle - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Aliphatic heteromonocyclic compound
説明	This compound belongs to the class of organic compounds known as peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

3 D構造

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レビュー

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Lot Number	Certificate Type	日付	商品
F2204258	Certificate of Analysis	Mar 04, 2025	C331659
F2204265	Certificate of Analysis	Mar 04, 2025	C331659
F2204317	Certificate of Analysis	Mar 04, 2025	C331659

溶解度	Soluble in DMSO
比旋光度［α］	-33.3 - -12.1°c = 1.4 in EtOH, 20° C
分子量	397.500 g/mol
XLogP3	1.200
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	10
Exact Mass	397.221 Da
Monoisotopic Mass	397.221 Da
Topological Polar Surface Area	117.000 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	610.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	5
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

CA-074 methyl ester - ≥97% , CAS No.147859-80-1

Why this grade

Storage & shipping

Quality documents

Literature proof

概要