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UNC2025

CAT: 0804-HY-12344-02Size: 10 mM - 1 mLDry Ice: NoHazardous: No
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CAT#:0804-HY-12344-02Size:10 mM - 1 mL
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
UNC2025 is a potent, ATP-competitive and highly orally active Mer/Flt3 inhibitor with IC50 values of 0.74 nM and 0.8 nM, respectively. UNC2025 is >45-fold selectivity for MERTK relative to Axl (IC50= 122 nM; Ki = 13.3 nM) . UNC2025 exhibits an excellent PK properties, and can be used for the investigation of acute leukemia[1].
CAS Number
1429881-91-3
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
FLT3
Type
Reference compound
Related Pathways
Protein Tyrosine Kinase/RTK
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/UNC2025.html
Concentration
10mM
Purity
99.92
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
CN1CCN(CC2=CC=C(C3=CN([C@@H]4CC[C@@H](O)CC4)C5=NC(NCCCC)=NC=C53)C=C2)CC1
Molecular Formula
C28H40N6O
Molecular Weight
476.66
Precautions
H302, H315, H319, H335
References & Citations
[1]Zhang W, et al. UNC2025, a Potent and Orally Bioavailable MER/FLT3 Dual Inhibitor. J Med Chem. 2014 Aug 28;57 (16) :7031-41.|[2]DeRyckere D, et al. UNC2025, a MERTK Small-Molecule Inhibitor, Is Therapeutically Effective Alone and in Combination with CL14377 in Leukemia Models.Clin Cancer Res. 2017 Mar 15;23 (6) :1481-1492.
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

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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Alternative Products

CatalogName
B8016-25UNC2025
T39474-01UNC2025 hydrochloride
C12790-01UNC2025 HCl
MBS3609399-01UNC2025 2HCl
T4419-01UNC2025 2HCl (1429881-91-3 (free base) )
MBS5750538UNC2025 2HCl (1429881-91-3(Free Base))

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