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UNC1666

CAT: 0931-T70687-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T70687-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1429882-12-1
Target
Others
Related Pathways
Others
Bioactivity
UNC1666 is a dual ATP-competitive small molecule tyrosine kinase inhibitor, which potently diminishes Mer and Flt3 phosphorylation in AML.
Smiles
N(CCCC)C=1N=C2C(C(=CN2[C@H]3CC[C@H](O)CC3)C4=CC=C(S(=O)(=O)N5CCOCC5)C=C4)=CN1
Molecular Formula
C26H35N5O4S
Molecular Weight
513.65
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

4-[2-(Butylamino)-5-(4-morpholin-4-ylsulfonylphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-ol
CAS Number1429882-12-1
PubChem CID72694213
IUPAC Name4-[2-(butylamino)-5-(4-morpholin-4-ylsulfonylphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-ol
Molecular FormulaC26H35N5O4S
Molecular Weight513.7
XLogP3.1
Topological Polar Surface Area118
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Heavy Atom Count36
Formal Charge0
Complexity789
SMILES
CCCCNC1=NC=C2C(=CN(C2=N1)C3CCC(CC3)O)C4=CC=C(C=C4)S(=O)(=O)N5CCOCC5
InChI
InChI=1S/C26H35N5O4S/c1-2-3-12-27-26-28-17-23-24(18-31(25(23)29-26)20-6-8-21(32)9-7-20)19-4-10-22(11-5-19)36(33,34)30-13-15-35-16-14-30/h4-5,10-11,17-18,20-21,32H,2-3,6-9,12-16H2,1H3,(H,27,28,29)
InChIKey
NDWOEUVAOGUXGP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-[2-(Butylamino)-5-(4-morpholin-4-ylsulfonylphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-ol
CAS: 1429882-12-1
CID: 72694213
Formula: C26H35N5O4S
MW: 513.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight513.7
XLogP33.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Exact Mass513.24097579
Monoisotopic Mass513.24097579
Topological Polar Surface Area118 Ų
Heavy Atom Count36
Formal Charge0
Complexity789
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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