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NCB-0846

CAT: 0013-GTR19163467-06Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19163467-06Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
The first orally available, small-molecule TNIK inhibitor with IC50 of 21 nM; also weakly inhibits FLT3, JAK3, PDGFRα, TRKA, CDK2/CycA2, and HGK (IC80>0.1 uM) ; induces faster migration of TCF4 phosphorylated by TNIK at 0.1-0.3 uM, and completely inhibits at 3 uM; also reduces the expression of TNIK, AXIN2, cMYC, LRP6 and LRP5; abrogates colorectal cancer stemness, suppresses Wnt-driven intestinal tumorigenesis in Apc (min/+) mice. Colon Cancer Preclinical.
CAS Number
1792999-26-8
Product Name Alternative
NCB 0846 | NCB0846
Purity
>98% (HPLC)
Solubility
DMSO: ≥ 30 mg/mL
Smiles
O[C@H]1CC[C@@H] (OC2=CC=CC3=CN=C (NC4=CC=C5N=CNC5=C4) N=C23) CC1
Molecular Formula
C21H21N5O2
Molecular Weight
375.4237
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
Cyclohexanol, 4-[[2- (1H-benzimidazol-6-ylamino) -8-quinazolinyl]oxy]-, cis-

Chemical Information

Cis-4-{[2-(1h-Benzimidazol-5-Ylamino)quinazolin-8-Yl]oxy}cyclohexanol
CAS Number1792999-26-8
PubChem CID91801204
IUPAC Name4-[2-(3H-benzimidazol-5-ylamino)quinazolin-8-yl]oxycyclohexan-1-ol
Molecular FormulaC21H21N5O2
Molecular Weight375.4
XLogP3.6
Topological Polar Surface Area96
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count28
Formal Charge0
Complexity515
SMILES
C1CC(CCC1O)OC2=CC=CC3=CN=C(N=C32)NC4=CC5=C(C=C4)N=CN5
InChI
InChI=1S/C21H21N5O2/c27-15-5-7-16(8-6-15)28-19-3-1-2-13-11-22-21(26-20(13)19)25-14-4-9-17-18(10-14)24-12-23-17/h1-4,9-12,15-16,27H,5-8H2,(H,23,24)(H,22,25,26)
InChIKey
FYWRWBSYRGSWIQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cis-4-{[2-(1h-Benzimidazol-5-Ylamino)quinazolin-8-Yl]oxy}cyclohexanol
CAS: 1792999-26-8
CID: 91801204
Formula: C21H21N5O2
MW: 375.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight375.4
XLogP33.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass375.16952493
Monoisotopic Mass375.16952493
Topological Polar Surface Area96 Ų
Heavy Atom Count28
Formal Charge0
Complexity515
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
BA6478-100NCB-0846

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