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UNC5293

CAT: 0931-T9134-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T9134-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2226789-82-6
Target
Others, FLT, ALK, TAM Receptor
Related Pathways
Others, Angiogenesis, Tyrosine Kinase/Adaptors
Bioactivity
UNC5293 is a potent, orally available and highly MERTK-selective inhibitor with Ki of 190 pM. UNC5293 inhibits MERTK (IC 50 =0.9 nM) and is more selective over Axl, Tyro3 and Flt3. UNC5293 exhibits excellent mouse PK properties and is used for bone marrow leukemia research [1].
Smiles
CCC[C@H](C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)C1CCN(CC1)C(=O)c1cc(C)nc(C)c1
Molecular Formula
C30H42N6O2
Molecular Weight
518.69
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(2,6-dimethyl-4-pyridinyl)-[4-[7-(4-hydroxycyclohexyl)-2-[[(2S)-pentan-2-yl]amino]pyrrolo[2,3-d]pyrimidin-5-yl]piperidin-1-yl]methanone
CAS Number2226789-82-6
PubChem CID146403042
IUPAC Name(2,6-dimethyl-4-pyridinyl)-[4-[7-(4-hydroxycyclohexyl)-2-[[(2S)-pentan-2-yl]amino]pyrrolo[2,3-d]pyrimidin-5-yl]piperidin-1-yl]methanone
Molecular FormulaC30H42N6O2
Molecular Weight518.7
XLogP4.6
Topological Polar Surface Area96.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count38
Formal Charge0
Complexity758
SMILES
CCC[C@H](C)NC1=NC=C2C(=CN(C2=N1)C3CCC(CC3)O)C4CCN(CC4)C(=O)C5=CC(=NC(=C5)C)C
InChI
InChI=1S/C30H42N6O2/c1-5-6-19(2)33-30-31-17-26-27(18-36(28(26)34-30)24-7-9-25(37)10-8-24)22-11-13-35(14-12-22)29(38)23-15-20(3)32-21(4)16-23/h15-19,22,24-25,37H,5-14H2,1-4H3,(H,31,33,34)/t19-,24?,25?/m0/s1
InChIKey
MSWOWUREQODTRO-CCYWVKEMSA-N
Chemical Structure
2D Structure
2D structure of (2,6-dimethyl-4-pyridinyl)-[4-[7-(4-hydroxycyclohexyl)-2-[[(2S)-pentan-2-yl]amino]pyrrolo[2,3-d]pyrimidin-5-yl]piperidin-1-yl]methanone
CAS: 2226789-82-6
CID: 146403042
Formula: C30H42N6O2
MW: 518.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight518.7
XLogP34.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass518.33692460
Monoisotopic Mass518.33692460
Topological Polar Surface Area96.2 Ų
Heavy Atom Count38
Formal Charge0
Complexity758
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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