CB-6644 - Moligand™,≥97% , CAS No.2316817-88-4

CAS: 2316817-88-4 Cat. No.: C650122 Formule: C₂₉H₃₄ClFN₄O₅ Poids moléculaire: 573.06 PubChem CID: 137333455

QUALITÉ & PURETÉ Moligand™, ≥97%

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Spécifications

Spécifications et pureté

Moligand™,≥97%

Mécanismes biochimiques et physiologiques

CB-6644 is a selective inhibitor of RUVBL1 / 2 complex with anti-cancer activity. CB-6644 blocks the ATPase activity of RUVBL1/2 with an IC 50 of 15 nM.

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

Pureté

≥97%

Noms et identifiants

Sourires canoniques

CCOC1=CC(=C(C=C1C(=O)NCC(C)(C)CC(=O)NC2=C(N3CCCC4=CC=CC=C4N3C2=O)COC)Cl)F

IUPAC Name

5-chloro-2-ethoxy-4-fluoro-N-[4-[[3-(methoxymethyl)-1-oxo-6,7-dihydro-5H-pyrazolo[1,2-a][1,2]benzodiazepin-2-yl]amino]-2,2-dimethyl-4-oxobutyl]benzamide

InChIKey

VYCOZEBCSAQCES-UHFFFAOYSA-N

INCHI

1S/C29H34ClFN4O5/c1-5-40-24-14-21(31)20(30)13-19(24)27(37)32-17-29(2,3)15-25(36)33-26-23(16-39-4)34-12-8-10-18-9-6-7-11-22(18)35(34)28(26)38/h6-7,9,11,13-14H,5,8,10,12,15-17H2,1-4H3,(H,32,37)(H,33,36)

Isomères SMILES

CCOC1=CC(=C(C=C1C(=O)NCC(C)(C)CC(=O)NC2=C(N3CCCC4=CC=CC=C4N3C2=O)COC)Cl)F

PubChem CID

137333455

Poids moléculaire

573.06

Cibles associées (humaines)

A549 (127892 Activities)

Explore this target

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

HCT-116 (91556 Activities)

Explore this target

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

MDA-MB-231 (73002 Activities)

Explore this target

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

RUVBL2 Tbio RuvB-like 2 (47 Activities)

Discover Target: RUVBL2

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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: DMSO : 100 mg/mL (174.50 mM; Need ultrasonic)
• Poids moléculaire: 573.100 g/mol
• XLogP3: 4.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 10
• Exact Mass: 572.22 Da
• Monoisotopic Mass: 572.22 Da
• Topological Polar Surface Area: 100.000 Ų
• Heavy Atom Count: 40
• Formal Charge: 0
• Complexity: 978.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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