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Emavusertib Tosylate

CAT: 0931-T202760-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T202760-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2376399-41-4
Target
MyD88, NF-κB, IRAK, Apoptosis, FLT
Related Pathways
Tyrosine Kinase/Adaptors, Apoptosis, Angiogenesis, Immunology/Inflammation, NF-κB
Bioactivity
Emavusertib Tosylate (also known as CA-4948) is a potent inhibitor of IRAK4/FLT3 with demonstrated antitumor activity. In cell lines such as ABC DLBCL and AML, CA-4948 exhibits strong cellular efficacy. Among 329 evaluated kinases, it shows medium to high selectivity. The compound has excellent oral bioavailability and favorable pharmacokinetic properties in ADME and PK profiles. In preclinical models involving mice, rats, and dogs, CA-4948 demonstrated good oral bioavailability and displayed over 90% tumor growth inhibition in relevant tumor models, correlating well with in vivo pharmacodynamic regulation.
Smiles
S(=O)(=O)(O)C1=CC=C(C)C=C1.N(C(=O)C=1N=C(OC1)C=2C=C(C)N=CC2)C3=C(N=C4C(=C3)OC(=N4)N5CCOCC5)N6CC[C@@H](O)C6
Molecular Formula
C31H33N7O8S
Molecular Weight
663.7
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Emavusertib Tosylate
CAS Number2376399-41-4
PubChem CID167713303
IUPAC NameN-[5-[(3R)-3-hydroxypyrrolidin-1-yl]-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;4-methylbenzenesulfonic acid
Molecular FormulaC31H33N7O8S
Molecular Weight663.7
Topological Polar Surface Area206
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count14
Rotatable Bond Count6
Heavy Atom Count47
Formal Charge0
Complexity979
SMILES
CC1=CC=C(C=C1)S(=O)(=O)O.CC1=NC=CC(=C1)C2=NC(=CO2)C(=O)NC3=CC4=C(N=C3N5CC[C@H](C5)O)N=C(O4)N6CCOCC6
InChI
InChI=1S/C24H25N7O5.C7H8O3S/c1-14-10-15(2-4-25-14)23-27-18(13-35-23)22(33)26-17-11-19-20(28-21(17)31-5-3-16(32)12-31)29-24(36-19)30-6-8-34-9-7-30;1-6-2-4-7(5-3-6)11(8,9)10/h2,4,10-11,13,16,32H,3,5-9,12H2,1H3,(H,26,33);2-5H,1H3,(H,8,9,10)/t16-;/m1./s1
InChIKey
XJMGSZLODKNAJQ-PKLMIRHRSA-N
Chemical Structure
2D Structure
2D structure of Emavusertib Tosylate
CAS: 2376399-41-4
CID: 167713303
Formula: C31H33N7O8S
MW: 663.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight663.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count14
Rotatable Bond Count6
Exact Mass663.21113221
Monoisotopic Mass663.21113221
Topological Polar Surface Area206 Ų
Heavy Atom Count47
Formal Charge0
Complexity979
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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A22489-2Emavusertib 2mg
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