SQ-24,798 - Moligand™ , Inhibitor of Carboxypeptidase B2 (plasma);Inhibitor of Carboxypeptidase N; polypeptide 1, CAS No.70873-80-2, Inhibitor of Carboxypeptidase B2 (plasma);Inhibitor of Carboxypeptidase N; polypeptide 1

CAS: 70873-80-2 Cat. No.: S613682 PubChem CID: 194328

GRADE & PURITY Moligand™

Synonyms

Q27088854 | DTXSID40989901 | 5-(diaminomethylideneamino)-2-(sulfanylmethyl)pentanoic acid | 5-carbamimidamido-2-(sulfanylmethyl)pentanoic acid | SQ 24798 | SQ-24,798 | SQ 24,798 | BDBM50201438 | (+/-)-5-guanidino-2-(mercaptomethyl)pentanoic acid | 2-Merca

Storage

Room temperature

Specifications

동의어

Q27088854 | DTXSID40989901 | 5-(diaminomethylideneamino)-2-(sulfanylmethyl)pentanoic acid | 5-carbamimidamido-2-(sulfanylmethyl)pentanoic acid | SQ 24798 | SQ-24,798 | SQ 24,798 | BDBM50201438 | (+/-)-5-guanidino-2-(mercaptomethyl)pentanoic acid | 2-Merca

사양 및 순도

Moligand™

보관 조건

Room temperature

등급

Moligand™

작업 유형

INHIBITOR

작동 메커니즘

Inhibitor of Carboxypeptidase B2 (plasma);Inhibitor of Carboxypeptidase N; polypeptide 1

이름과 식별자

• 정식 스마일: SCC(C(=O)O)CCCN=C(N)N
• IUPAC Name: 5-(diaminomethylideneamino)-2-(sulfanylmethyl)pentanoic acid
• InChIKey: JOVIPJZDTSYNNW-UHFFFAOYSA-N
• INCHI: 1S/C7H15N3O2S/c8-7(9)10-3-1-2-5(4-13)6(11)12/h5,13H,1-4H2,(H,11,12)(H4,8,9,10)
• 이성체 SMILES: C(CC(CS)C(=O)O)CN=C(N)N
• PubChem CID: 194328

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • 분류 Fatty Acyls
      • Subclass Fatty acids and conjugates

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 분류: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Branched fatty acids
• Alternative Parents: Guanidines Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Carboxylic acids Carboximidamides Alkylthiols Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Branched fatty acid - Guanidine - Alkylthiol - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Carboximidamide - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organosulfur compound - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Aliphatic acyclic compound
• 설명: This compound belongs to the class of organic compounds known as branched fatty acids. These are fatty acids containing a branched chain.
• External Descriptors: Not available

Data sources

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

관련 대상(인간)

CPN1 Tchem Carboxypeptidase N catalytic chain (3 Activities)

Discover Target: CPN1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

CPB2 Tchem Carboxypeptidase B2 (3 Activities)

Discover Target: CPB2

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

CPN1 Tchem Carboxypeptidase N, catalytic subunit (37 Activities)

Discover Target: CPN1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CPB2 Tchem Carboxypeptidase B2 isoform A (351 Activities)

Discover Target: CPB2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CPB1 Tchem Carboxypeptidase B (100 Activities)

Discover Target: CPB1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

작용 메커니즘

화학 및 물리적 특성

• 분자량: 205.280 g/mol
• XLogP3: -0.800
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 205.088 Da
• Monoisotopic Mass: 205.088 Da
• Topological Polar Surface Area: 103.000 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 192.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

자주 묻는 질문

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 70873-80-2. InChIKey JOVIPJZDTSYNNW-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.