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CHMFL-FLT3-122

CAT: 0804-HY-110293-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-110293-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
CHMFL-FLT3-122 is a potent, selective and orally active FLT3 kinase with an IC50 of 40 nM. CHMFL-FLT3-122 shows selectivity for FLT3 over BTK (IC50 of 421 nM) and c-KIT (IC50 of 559 nM) kinases. CHMFL-FLT3-122 induces apoptosis by arresting the cell cycle into the G0/G1 phase[1].
CAS Number
1839150-56-9
UNSPSC
12352005
Target
Apoptosis; FLT3
Type
Reference compound
Related Pathways
Apoptosis; Protein Tyrosine Kinase/RTK
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/chmfl-flt3-122.html
Purity
98.47
Solubility
DMSO : 125 mg/mL (ultrasonic)
Smiles
NC1=C2C(N([C@H]3CN(CCC3)C(CN(C)C)=O)N=C2C4=CC=C(OC5=CC=CC=C5)C=C4)=NC=N1
Molecular Formula
C26H29N7O2
Molecular Weight
471.55
References & Citations
[1]Xixiang Li, et al. Discovery of (R) -1- (3- (4-Amino-3- (4-phenoxyphenyl) -1H-pyrazolo[3,4-d]pyrimidin-1-yl) piperidin-1-yl) -2- (dimethylamino) ethanone (CHMFL-FLT3-122) as a Potent and Orally Available FLT3 Kinase Inhibitor for FLT3-ITD Positive Acute Myeloid Leukemia. J Med Chem. 2015 Dec 24;58 (24) :9625-38.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Chmfl-flt3-122
CAS Number1839150-56-9
PubChem CID121513893
IUPAC Name1-[(3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-2-(dimethylamino)ethanone
Molecular FormulaC26H29N7O2
Molecular Weight471.6
XLogP3.1
Topological Polar Surface Area102
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count35
Formal Charge0
Complexity695
SMILES
CN(C)CC(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N
InChI
InChI=1S/C26H29N7O2/c1-31(2)16-22(34)32-14-6-7-19(15-32)33-26-23(25(27)28-17-29-26)24(30-33)18-10-12-21(13-11-18)35-20-8-4-3-5-9-20/h3-5,8-13,17,19H,6-7,14-16H2,1-2H3,(H2,27,28,29)/t19-/m1/s1
InChIKey
IZNAFSDUTMZGSF-LJQANCHMSA-N
Chemical Structure
2D Structure
2D structure of Chmfl-flt3-122
CAS: 1839150-56-9
CID: 121513893
Formula: C26H29N7O2
MW: 471.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight471.6
XLogP33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass471.23827319
Monoisotopic Mass471.23827319
Topological Polar Surface Area102 Ų
Heavy Atom Count35
Formal Charge0
Complexity695
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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