TTK inhibitor 4

CAT: 0931-T87572-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0931-T87572-01Size:10 mg

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CAS Number

2964520-80-5

Target

Others, Kinesin

Related Pathways

Others, Cytoskeletal Signaling

Bioactivity

TTK inhibitor 4 (compound 16) acts as a potent threonine tyrosine kinase (TTK) inhibitor, exhibiting an IC 50 value of 0.016 μM and demonstrating anti-tumor activity [1].

Smiles

N(CC(C)(C)C)C=1C2=C(C=NC(NC3=C(NC(C=C)=O)C=C(C=C3)C=4N(C)C=NN4)=N2)C=C(C)N1

Molecular Formula

C25H29N9O

Molecular Weight

471.56

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

TTK inhibitor 4

CAS Number	2964520-80-5
PubChem CID	172638509
IUPAC Name	N-[2-[[8-(2,2-dimethylpropylamino)-6-methylpyrido[3,4-d]pyrimidin-2-yl]amino]-5-(4-methyl-1,2,4-triazol-3-yl)phenyl]prop-2-enamide
Molecular Formula	C25H29N9O
Molecular Weight	471.6
XLogP	3.7
Topological Polar Surface Area	123
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	8
Heavy Atom Count	35
Formal Charge	0
Complexity	728

SMILES

CC1=CC2=CN=C(N=C2C(=N1)NCC(C)(C)C)NC3=C(C=C(C=C3)C4=NN=CN4C)NC(=O)C=C

InChI

InChI=1S/C25H29N9O/c1-7-20(35)30-19-11-16(23-33-28-14-34(23)6)8-9-18(19)31-24-26-12-17-10-15(2)29-22(21(17)32-24)27-13-25(3,4)5/h7-12,14H,1,13H2,2-6H3,(H,27,29)(H,30,35)(H,26,31,32)

InChIKey

MFJMGQLISWDJSP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2964520-80-5

CID: 172638509

Formula: C25H29N9O

MW: 471.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	471.6
XLogP3	3.7
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	8
Exact Mass	471.24950658
Monoisotopic Mass	471.24950658
Topological Polar Surface Area	123 Å²
Heavy Atom Count	35
Formal Charge	0
Complexity	728
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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T81374-01	PROTAC TTK degrader-2
T36018-01	Phosphodiesterase 4 Inhibitor
T200556-01	Topoisomerase inhibitor 4
T63317-01	ATM Inhibitor-4
T9262-01	MAT2A inhibitor 4
T62165-01	PI3Kγ inhibitor 4

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TTK inhibitor 4

Chemical Information

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