TC-E 5008

CAT: 0931-T28932-03Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0931-T28932-03Size:100 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

50405-58-8

Target

Others, Isocitrate Dehydrogenase (IDH)

Related Pathways

Metabolism, Others

Bioactivity

TC-E 5008 is a selective inhibitor of mutant isocitrate dehydrogenase 1 (mIDH1) .

Smiles

C(C=1N(O)C(=O)C=C(C)C1)C2=CC=CC=C2

Molecular Formula

C13H13NO2

Molecular Weight

215.25

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

6-Benzyl-1-Hydroxy-4-Methylpyridin-2(1h)-One

SYC-435 is a cyclic hydroxamic acid that is 1-hydroxypyridin-2(1H)-one in which the hydrogens at positions 4 and 6 are substituted by methyl and benzyl groups, respectively. It is a potent inhibitor of mutant isocitrate dehydrogenase 1 (Ki values of 190 nM against R132H mutant and 120 nM against R132C mutant). It has a role as an EC 1.1.1.42 (isocitrate dehydrogenase) inhibitor and an antineoplastic agent. It is a member of benzenes, a cyclic hydroxamic acid and a pyridone.

CAS Number	50405-58-8
PubChem CID	13590964
IUPAC Name	6-benzyl-1-hydroxy-4-methylpyridin-2-one
Molecular Formula	C13H13NO2
Molecular Weight	215.25
XLogP	1.7
Topological Polar Surface Area	40.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	16
Formal Charge	0
Complexity	338

SMILES

CC1=CC(=O)N(C(=C1)CC2=CC=CC=C2)O

InChI

InChI=1S/C13H13NO2/c1-10-7-12(14(16)13(15)8-10)9-11-5-3-2-4-6-11/h2-8,16H,9H2,1H3

InChIKey

AVLZAVSZOAQKRC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 50405-58-8

CID: 13590964

Formula: C13H13NO2

MW: 215.25

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	215.25
XLogP3	1.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	215.094628657
Monoisotopic Mass	215.094628657
Topological Polar Surface Area	40.5 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	338
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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Alternative Products

Catalog	Name
HY-110144	TC-E 5008
B4930-25	TC-E 5002
B7750-50	TC-E 5003
B5642-10	TC-E 5005
IAD54548-01	TC-E 5007
HY-108516	TC-E 5001
B7719-50	TC-E 5006

TC-E 5008

Chemical Information

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