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

CAS: 1203680-76-5 Cat. No.: A287712 Summenformel: C₂₀H₁₈ClNO₂S Molekulargewicht: 371.88 EG-Nummer: 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

Synonyme

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

Spezifikationen & Reinheit

Moligand™, ≥98%

Biochemische und physiologische Mechanismen

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

Storage

Store at -20°C,Argon charged

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Note

Moligand™

Aktionsart

INHIBITOR

Mechanismus der Wirkung

Inhibitor of INPPL1

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 528758312
• Kanonisches Lächeln: 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
• Isomere SMILES: C[C@@H](C1=CC=CC=C1)NC(=O)C2=C(C=CS2)OCC3=CC=C(C=C3)Cl
• PubChem CID: 44473434
• Molekulargewicht: 371.88

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: 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
• Beschreibung: 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

Zugehörige Ziele (menschlich)

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)

Zugehörige Ziele (nicht menschlich)

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Solvent:DMSO, Max Conc. mg/mL: 37.19, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 37.19, Max Conc. mM: 100
• Schmelzpunkt (°C): 89 - 91°C
• Molekulargewicht: 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