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UNC-2025

CAT: 0013-GTR19160525-05Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19160525-05Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
UNC-2025 is a novel potent and highly orally bioavailable Mer/FLT3 dual inhibitor, capable of inhibiting Mer phosphorylation in vivo, following oral dosing as demonstrated by pharmaco-dynamic (PD) studies examining phospho-Mer in leukemic blasts from mouse bone marrow. Kinome profiling versus more than 300 kinases in vitro and cellular selectivity assessments demonstrate that UNC-2025 has similar subnanomolar activity against Flt3, an additional important target in acute myelogenous leukemia (AML), with pharmacologically useful selectivity versus other kinases examined.
CAS Number
1429881-91-3
Product Name Alternative
UNC2025, UNC2025, UNC 2025
Purity
>98% (HPLC)
Solubility
DMSO : 33.33 mg/mL. 69.92 mM
Smiles
CCCCNc1ncc2c (cn (c2n1) [C@H]1CC[C@@H] (CC1) O) c1ccc (cc1) CN1CCN (CC1) C.Cl.Cl
Molecular Formula
C28H41ClN6O
Molecular Weight
513.12
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
(1r,4r) -4- (2- (butylamino) -5- (4- ((4-methylpiperazin-1-yl) methyl) phenyl) -7H-pyrrolo[2,3-d]pyrimidin-7-yl) cyclohexanol

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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