SU1498 - 10mM in DMSO , CAS No.168835-82-3

CAS: 168835-82-3 Cat. No.: S422089 Formule: C₂₅H₃₀N₂O₂ Poids moléculaire: 390.52 Numéro CE: 809-155-6 PubChem CID: 5941539

QUALITÉ & PURETÉ 10mM in DMSO

Synonyms

BCP25508 | BDBM50375659 | SCHEMBL1371456 | CHEBI:92611 | JANPYFTYAGTSIN-FYJGNVAPSA-N | CCG-100667 | (2E)-2-cyano-3-[4-hydroxy-3,5-di(propan-2-yl)phenyl]-N-(3-phenylpropyl)prop-2-enamide | BRD-K34995470-001-03-1 | EC-000.2538 | U0103 | BiomolKI2_000069 | D

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Spécifications

Synonymes

BCP25508 | BDBM50375659 | SCHEMBL1371456 | CHEBI:92611 | JANPYFTYAGTSIN-FYJGNVAPSA-N | CCG-100667 | (2E)-2-cyano-3-[4-hydroxy-3,5-di(propan-2-yl)phenyl]-N-(3-phenylpropyl)prop-2-enamide | BRD-K34995470-001-03-1 | EC-000.2538 | U0103 | BiomolKI2_000069 | D

Spécifications et pureté

10mM in DMSO

Mécanismes biochimiques et physiologiques

SU1498 is a potent and selective inhibitor of the VEGFR2 receptor kinase, Flk-1 with an IC50 value of 700 nM. SU1498 is a very weak inhibitor of PDGFR-kinase, EGFR-kinase and HER-2 kinase with IC50 values > 50 μM. SU1498 has been used to study the role of

Conditions de stockage de stockage

Store at -80°C

Expédié en

Dry ice packs + Cold packs

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

Noms et identifiants

Pubchem Sid

528767226

Sourires canoniques

CC(C)C1=CC(=CC(=C1O)C(C)C)C=C(C#N)C(=O)NCCCC2=CC=CC=C2

IUPAC Name

(E)-2-cyano-3-[4-hydroxy-3,5-di(propan-2-yl)phenyl]-N-(3-phenylpropyl)prop-2-enamide

InChIKey

JANPYFTYAGTSIN-FYJGNVAPSA-N

INCHI

1S/C25H30N2O2/c1-17(2)22-14-20(15-23(18(3)4)24(22)28)13-21(16-26)25(29)27-12-8-11-19-9-6-5-7-10-19/h5-7,9-10,13-15,17-18,28H,8,11-12H2,1-4H3,(H,27,29)/b21-13+

Isomères SMILES

CC(C)C1=CC(=CC(=C1O)C(C)C)/C=C(\C#N)/C(=O)NCCCC2=CC=CC=C2

PubChem CID

5941539

Poids moléculaire

390.52

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Classe Cinnamic acids and derivatives
      • Subclass Hydroxycinnamic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Classe: Cinnamic acids and derivatives
• Subclass: Hydroxycinnamic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Coumaric acids and derivatives
• Alternative Parents: Cinnamic acid amides Phenylpropanes Cumenes Phenols Secondary carboxylic acid amides Nitriles Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Cinnamic acid amide - Coumaric acid or derivatives - Cumene - Phenylpropane - Phenol - Monocyclic benzene moiety - Benzenoid - Carboxamide group - Secondary carboxylic acid amide - Nitrile - Carbonitrile - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as coumaric acids and derivatives. These are aromatic compounds containing Aromatic compounds containing a cinnamic acid moiety (or a derivative thereof) hydroxylated at the C2 (ortho-), C3 (meta-), or C4 (para-) carbon atom of the benzene ring.
• External Descriptors: monocarboxylic acid amide - phenols - nitrile - enamide

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)

DAPK3 Tchem Death-associated protein kinase 3 (2108 Activities)

Discover Target: DAPK3

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

MAPK11 Tchem MAP kinase p38 beta (2785 Activities)

Discover Target: MAPK11

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

GSK3B Tclin Glycogen synthase kinase-3 beta (11785 Activities)

Discover Target: GSK3B

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

MAP2K6 Tchem Dual specificity mitogen-activated protein kinase kinase 6 (1284 Activities)

Discover Target: MAP2K6

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

CSNK1G1 Tchem Casein kinase I gamma 1 (2496 Activities)

Discover Target: CSNK1G1

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

CAMK2B Tchem CaM kinase II beta (1626 Activities)

Discover Target: CAMK2B

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

CDK6 Tclin Cyclin-dependent kinase 6 (1724 Activities)

Discover Target: CDK6

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

CHEK2 Tchem Serine/threonine-protein kinase Chk2 (4015 Activities)

Discover Target: CHEK2

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

PDPK1 Tchem 3-phosphoinositide dependent protein kinase-1 (3758 Activities)

Discover Target: PDPK1

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

PRKAA2 Tchem AMP-activated protein kinase, alpha-2 subunit (1328 Activities)

Discover Target: PRKAA2

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

PIM1 Tchem Serine/threonine-protein kinase PIM1 (9629 Activities)

Discover Target: PIM1

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

PLK1 Tchem Serine/threonine-protein kinase PLK1 (28605 Activities)

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

JAK1 Tclin Tyrosine-protein kinase JAK1 (8569 Activities)

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

CAMK4 Tbio CaM kinase IV (2116 Activities)

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

KDR Tclin Vascular endothelial growth factor receptor 2 (20924 Activities)

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

MAP2K2 Tclin Dual specificity mitogen-activated protein kinase kinase 2 (1262 Activities)

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CAMK2D Tchem CaM kinase II delta (2813 Activities)

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

CSNK1G2 Tchem Casein kinase I gamma 2 (2539 Activities)

Discover Target: CSNK1G2

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

MAPK3 Tchem MAP kinase ERK1 (4725 Activities)

Discover Target: MAPK3

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CDK2 Tchem Cyclin-dependent kinase 2 (9050 Activities)

Discover Target: CDK2

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PRKACA Tchem cAMP-dependent protein kinase alpha-catalytic subunit (3475 Activities)

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CAMK2A Tchem CaM kinase II alpha (1938 Activities)

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RPS6KA3 Tchem Ribosomal protein S6 kinase alpha 3 (4284 Activities)

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PLK4 Tchem Serine/threonine-protein kinase PLK4 (1882 Activities)

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STK16 Tchem Serine/threonine-protein kinase 16 (910 Activities)

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STK10 Tchem Serine/threonine-protein kinase 10 (2119 Activities)

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CLK1 Tchem Dual specificty protein kinase CLK1 (2189 Activities)

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CLK2 Tchem Dual specificity protein kinase CLK2 (3942 Activities)

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CLK3 Tchem Dual specificity protein kinase CLK3 (2711 Activities)

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NEK2 Tchem Serine/threonine-protein kinase NEK2 (3514 Activities)

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CDK16 Tchem Serine/threonine-protein kinase PCTAIRE-1 (829 Activities)

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STK4 Tchem Serine/threonine-protein kinase MST1 (2643 Activities)

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CAMK1D Tchem CaM kinase I delta (2141 Activities)

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CAMK1G Tchem CaM kinase I gamma (570 Activities)

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

CAMKK2 Tchem CaM-kinase kinase beta (1281 Activities)

Discover Target: CAMKK2

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MAP3K5 Tchem Mitogen-activated protein kinase kinase kinase 5 (1965 Activities)

Discover Target: MAP3K5

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

SLK Tchem Serine/threonine-protein kinase 2 (1640 Activities)

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NEK6 Tchem Serine/threonine-protein kinase NEK6 (1986 Activities)

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PAK6 Tchem Serine/threonine-protein kinase PAK6 (1915 Activities)

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PIM2 Tchem Serine/threonine-protein kinase PIM2 (5873 Activities)

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PAK5 Tchem Serine/threonine-protein kinase PAK7 (1760 Activities)

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STK17A Tchem Serine/threonine-protein kinase 17A (1791 Activities)

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TNIK Tchem TRAF2- and NCK-interacting kinase (1174 Activities)

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PAK4 Tchem Serine/threonine-protein kinase PAK 4 (3212 Activities)

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PBK Tchem PDZ-binding kinase (995 Activities)

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PIM3 Tchem Serine/threonine-protein kinase PIM3 (4133 Activities)

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DMPK Tchem Myotonin-protein kinase (927 Activities)

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CSNK1G3 Tchem Casein kinase I isoform gamma-3 (2408 Activities)

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MAPK6 Tchem Mitogen-activated protein kinase 6 (562 Activities)

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STK25 Tchem Serine/threonine-protein kinase 25 (577 Activities)

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Camk2g CaM kinase II gamma (1 Activities)

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Mapt Microtubule-associated protein tau (6 Activities)

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

Impa1 Inositol monophosphatase 1 (16203 Activities)

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Mécanismes d'action

Propriétés chimiques et physiques

• Sensibilité: Heat Sensitive
• Point de fusion (°C): 126 °C
• Poids moléculaire: 390.500 g/mol
• XLogP3: 5.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 8
• Exact Mass: 390.231 Da
• Monoisotopic Mass: 390.231 Da
• Topological Polar Surface Area: 73.100 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 577.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1