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UNC2025

CAT: 1568-C14394-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1568-C14394-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1429881-91-3
SKU
C14394-5mg
Target
FLT3
Applications
Protein Tyrosine Kinase
Smiles
CCCCNC1=NC=C2C (=CN (C2=N1) C3CCC (CC3) O) C4=CC=C (C=C4) CN5CCN (CC5) C
Molecular Formula
C28H40N6O
Additionnal Information
UNC2025 is a potent and orally active dual inhibitor of FLT3 and MER with IC50 of 0.35 nM and 0.46 nM, respectively. UNC2025 also inhibits AXL, TRKA, TRKC, QIK, TYRO3, SLK, NuaK1, Kit (c-Kit) and Met (c-Met) with IC50 of 1.65 nM, 1.67 nM, 4.38 nM, 5.75 nM, 5.83 nM, 6.14 nM, 7.97 nM, 8.18 nM and 364 nM, respectively.
Storage Conditions
3 years -20°C powder

Chemical Information

trans-4-(2-(Butylamino)-5-(4-((4-methylpiperazin-1-yl)methyl)phenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)cyclohexanol

See also: Unc2025 (annotation moved to).

CAS Number1429881-91-3
PubChem CID73425588
IUPAC Name4-[2-(butylamino)-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-ol
Molecular FormulaC28H40N6O
Molecular Weight476.7
XLogP4
Topological Polar Surface Area69.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count35
Formal Charge0
Complexity627
SMILES
CCCCNC1=NC=C2C(=CN(C2=N1)C3CCC(CC3)O)C4=CC=C(C=C4)CN5CCN(CC5)C
InChI
InChI=1S/C28H40N6O/c1-3-4-13-29-28-30-18-25-26(20-34(27(25)31-28)23-9-11-24(35)12-10-23)22-7-5-21(6-8-22)19-33-16-14-32(2)15-17-33/h5-8,18,20,23-24,35H,3-4,9-17,19H2,1-2H3,(H,29,30,31)
InChIKey
MJSHVHLADKXCML-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of trans-4-(2-(Butylamino)-5-(4-((4-methylpiperazin-1-yl)methyl)phenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)cyclohexanol
CAS: 1429881-91-3
CID: 73425588
Formula: C28H40N6O
MW: 476.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight476.7
XLogP34
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass476.32635992
Monoisotopic Mass476.32635992
Topological Polar Surface Area69.5 Ų
Heavy Atom Count35
Formal Charge0
Complexity627
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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B8016-25UNC2025
T39474-01UNC2025 hydrochloride
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MBS3609399-01UNC2025 2HCl
T4419-01UNC2025 2HCl (1429881-91-3 (free base) )
MBS5750538UNC2025 2HCl (1429881-91-3(Free Base))
MBS3607702-01UNC2025 2HCl (1429881-91-3 (free base))

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