cis-ACCP - ≥95% , CAS No.777075-44-2

CAS: 777075-44-2 Cat. No.: C339606 Fórmula: C₇H₁₅N₂O₄P Peso molecular: 222.18

GRADE & PURITY ≥95%

Synonyms

cis-2-Aminocyclohexylcarbamoylphosphonic acid

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral

cis-ACCP is a reversible and competitive inhibitor of type IV collagen-specific MMP-2 and MMP-9 with preference towards MMP-2 (IC|50|= 4 and 20 μM, respectively). At 100 μM, cis-ACCP prevents 90% of tumor cell invasion across matrigel-coated membranes in vitro. Matrix metalloproteinases (MMPs) belong to a family of proteases that play a crucial role in tissue repair and remodeling by degrading extracellular matrix proteins, thus enabling cell migration. Overexpression of MMPs are linked to diseases such as arthritis, cancer, osteoporosis and arteriosclerosis.

Specifications

Sinónimos

cis-2-Aminocyclohexylcarbamoylphosphonic acid

Especificações e pureza

≥95%

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Nota

cis-ACCP is supplied as a crystalline solid. A stock solution may be made by dissolving the cis-ACCP in an organic solvent purged with an inert gas. cis-ACCP is soluble in ethanol to a concentration of approximately 0.15 mg/ml.Further dilutions of the sto

Pureza

≥95%

Propriedades do produto

• pKa: pKa: 0.85 (Predicted), pKa: 9.71 (Predicted)

Nomes e identificadores

• Sorrisos canónicos: C1CCC(C(C1)N)NC(=O)P(=O)(O)O
• IUPAC Name: [(1R,2S)-2-aminocyclohexyl]carbamoylphosphonic acid
• InChIKey: XHCXISPZIHYKQD-NTSWFWBYSA-N
• INCHI: 1S/C7H15N2O4P/c8-5-3-1-2-4-6(5)9-7(10)14(11,12)13/h5-6H,1-4,8H2,(H,9,10)(H2,11,12,13)/t5-,6+/m0/s1
• SMILES isoméricas: C1CC[C@H]([C@H](C1)N)NC(=O)P(=O)(O)O
• Peso molecular: 222.18
• Reaxy-Rn: 24191743
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=24191743&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Classe Organonitrogen compounds
      • Subclass Cyclohexylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Classe: Organonitrogen compounds
• Subclass: Cyclohexylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Cyclohexylamines
• Alternative Parents: Organic phosphonic acids Organophosphorus compounds Organooxygen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Cyclohexylamine - Organophosphonic acid derivative - Organophosphonic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Organophosphorus compound - Organooxygen compound - Primary aliphatic amine - Amine - Aliphatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as cyclohexylamines. These are organic compounds containing a cyclohexylamine moiety, which consist of a cyclohexane ring attached to an amine group.
• 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

Alvos associados (humanos)

MMP3 Tchem Matrix metalloproteinase 3 (3433 Activities)

Discover Target: MMP3

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

MMP8 Tchem Matrix metalloproteinase 8 (1942 Activities)

Discover Target: MMP8

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

MMP12 Tchem Matrix metalloproteinase 12 (1130 Activities)

Discover Target: MMP12

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

MMP1 Tchem Matrix metalloproteinase-1 (7046 Activities)

Discover Target: MMP1

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

Alvos associados (não humanos)

Mmp13 Matrix metalloproteinase 13 (19 Activities)

Discover Target: Mmp13

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

Adam17 ADAM17 (14 Activities)

Discover Target: Adam17

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

Mmp2 Matrix metalloproteinase-2 (12 Activities)

Discover Target: Mmp2

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

Mmp9 Matrix metalloproteinase 9 (38 Activities)

Discover Target: Mmp9

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

Mus musculus (284745 Activities)

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

Rattus norvegicus (775804 Activities)

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

RAW264.7 (28094 Activities)

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

B16-F10 (4610 Activities)

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

Colon (26 Activities)

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Ileum (29 Activities)

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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Soluble in ethanol (~0.15 mg/ml), and PBS pH7.2 (~0.3 mg/ml).
• Índice de refração: n20D1.54 (Predicted)
• Peso molecular: 222.180 g/mol
• XLogP3: -3.900
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 222.077 Da
• Monoisotopic Mass: 222.077 Da
• Topological Polar Surface Area: 113.000 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 264.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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