AS 1949490 - Moligand™, ≥98% , Inhibitor of INPPL1, CAS No.1203680-76-5, Inhibitor of INPPL1

CAS: 1203680-76-5 Cat. No.: A287712 Formule: C₂₀H₁₈ClNO₂S Poids moléculaire: 371.88 Numéro CE: 808-350-3 PubChem CID: 44473434

GRADE & PURITY Moligand™, ≥98%

Synonyms

AS-16435 | 3-[(4-Chlorophenyl)methoxy]-N-[(1S) -1-phenylethyl]thiophene-2-carboxamide | AS 1949490 | SCHEMBL21857864 | Q27074523 | GTPL8878 | 1203680-76-5 | A898999 | AKOS024457770 | HY-18686 | J-004322 | SMR004701459 | as1949490 | AS-1949490 | HMS3678B09

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Synonymes

AS-16435 | 3-[(4-Chlorophenyl)methoxy]-N-[(1S) -1-phenylethyl]thiophene-2-carboxamide | AS 1949490 | SCHEMBL21857864 | Q27074523 | GTPL8878 | 1203680-76-5 | A898999 | AKOS024457770 | HY-18686 | J-004322 | SMR004701459 | as1949490 | AS-1949490 | HMS3678B09

Spécifications et pureté

Moligand™, ≥98%

Mécanismes biochimiques et physiologiques

Selective SHIP2 (inositol 5'-phosphatase 2 containing SH2 domain) inhibitor (IC50 values ​​of mouse and human are 0.34μM and 0.62μM, respectively); compared with SHIP1, the affinity for SHIP2 is about 30 times . Increase insulin-induced phosphorylation of

Conditions de stockage de stockage

Store at -20°C,Argon charged

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Grade

Moligand™

Type d'action

INHIBITOR

Mécanisme d'action

Inhibitor of INPPL1

Pureté

≥98%

Noms et identifiants

• Pubchem Sid: 528758312
• Sourires canoniques: CC(C1=CC=CC=C1)NC(=O)C2=C(C=CS2)OCC3=CC=C(C=C3)Cl
• IUPAC Name: 3-[(4-chlorophenyl)methoxy]-N-[(1S)-1-phenylethyl]thiophene-2-carboxamide
• InChIKey: RFZPGNRLOKVZJY-AWEZNQCLSA-N
• INCHI: 1S/C20H18ClNO2S/c1-14(16-5-3-2-4-6-16)22-20(23)19-18(11-12-25-19)24-13-15-7-9-17(21)10-8-15/h2-12,14H,13H2,1H3,(H,22,23)/t14-/m0/s1
• Isomères SMILES: C[C@@H](C1=CC=CC=C1)NC(=O)C2=C(C=CS2)OCC3=CC=C(C=C3)Cl
• PubChem CID: 44473434
• Poids moléculaire: 371.88

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Thiophenes
      • Subclass Thiophene carboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Thiophenes
• Subclass: Thiophene carboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Thiophene carboxamides
• Alternative Parents: 2-heteroaryl carboxamides Chlorobenzenes Alkyl aryl ethers Aryl chlorides Heteroaromatic compounds Secondary carboxylic acid amides Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2-heteroaryl carboxamide - Thiophene carboxamide - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Ether - Carboxylic acid derivative - Organohalogen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organochloride - Organonitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as thiophene carboxamides. These are compounds containing a thiophene ring which bears a carboxamide.
• 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

Cibles associées (humaines)

INPPL1 Tchem Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 2 (2 Activities)

Discover Target: INPPL1

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

Cibles associées (non humaines)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

Mus musculus (284745 Activities)

Explore this target

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Inppl1 Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 2 (2 Activities)

Discover Target: Inppl1

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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Solvent:DMSO, Max Conc. mg/mL: 37.19, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 37.19, Max Conc. mM: 100
• Point de fusion (°C): 89 - 91°C
• Poids moléculaire: 371.900 g/mol
• XLogP3: 5.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 371.075 Da
• Monoisotopic Mass: 371.075 Da
• Topological Polar Surface Area: 66.600 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 422.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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