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JMF4073

CAT: 0013-GTR19236455-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19236455-03Size:100 mg
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Description
JMF4073 is a potent dual inhibitor of TMP and CMP kinases, with IC50 values of 0.16 μM and 0.17 μM, respectively. It demonstrates efficacy against wild-type Bcr-Abl-transformed myeloid cells in both in vitro and in vivo models, supporting its use in oncology research, particularly for studying leukemia cell proliferation and nucleotide metabolism.
CAS Number
1927930-61-7
Field of Research
Cell Biology, Molecular Biology
Smiles
O=C (OC (C) (C) C) N1CCN (C (=O) CN2SC3=CC=C (F) C=C3C2=O) CC1
Molecular Formula
C18H22FN3O4S
Molecular Weight
395.45
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Tert-butyl 4-[2-(5-fluoro-3-oxo-1,2-benzothiazol-2-yl)acetyl]piperazine-1-carboxylate
CAS Number1927930-61-7
PubChem CID121363146
IUPAC Nametert-butyl 4-[2-(5-fluoro-3-oxo-1,2-benzothiazol-2-yl)acetyl]piperazine-1-carboxylate
Molecular FormulaC18H22FN3O4S
Molecular Weight395.5
XLogP1.7
Topological Polar Surface Area95.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count27
Formal Charge0
Complexity604
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)C(=O)CN2C(=O)C3=C(S2)C=CC(=C3)F
InChI
InChI=1S/C18H22FN3O4S/c1-18(2,3)26-17(25)21-8-6-20(7-9-21)15(23)11-22-16(24)13-10-12(19)4-5-14(13)27-22/h4-5,10H,6-9,11H2,1-3H3
InChIKey
LBKQSSRUMAUEFE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tert-butyl 4-[2-(5-fluoro-3-oxo-1,2-benzothiazol-2-yl)acetyl]piperazine-1-carboxylate
CAS: 1927930-61-7
CID: 121363146
Formula: C18H22FN3O4S
MW: 395.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight395.5
XLogP31.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass395.13150553
Monoisotopic Mass395.13150553
Topological Polar Surface Area95.5 Ų
Heavy Atom Count27
Formal Charge0
Complexity604
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

Alternative Products

CatalogName
T88587-01JMF4073

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