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EZM0414

CAT: 1568-C01529-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1568-C01529-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2411748-50-8
SKU
C01529-5mg
Target
SETD
Applications
Epigenetics
Smiles
CC (=O) N1CCN (CC1) C2CCCC (C2) NC (=O) C3=CC4=C (F) C=CC (=C4[NH]3) C
Additionnal Information
EZM0414 is a potent, selective, and orally bioavailable inhibitor of Histone-lysine N-methyltransferase SETD2.
Storage Conditions
3 years -20°C powder

Chemical Information

Ezm-0414

SETD2 Inhibitor EZM0414 is an orally bioavailable selective inhibitor of the histone methyltransferase (HMT) SETD2 (SET domain containing 2, histone lysine methyltransferase), with potential antineoplastic activity. Upon oral administration, SETD2 inhibitor EZM0414 binds to SETD2 and inhibits its activity. This prevents several key biological processes that are mediated by SETD2, including the methylation of histones and non-histone proteins, transcriptional regulation, RNA splicing, DNA damage repair and B cell development and maturation. The inhibition of SETD2 by EZM0414 may inhibit tumor cell proliferation. SETD2 plays multiple important roles in oncogenesis.

CAS Number2411748-50-8
PubChem CID146395245
IUPAC NameN-[(1R,3S)-3-(4-acetylpiperazin-1-yl)cyclohexyl]-4-fluoro-7-methyl-1H-indole-2-carboxamide
Molecular FormulaC22H29FN4O2
Molecular Weight400.5
XLogP2.8
Topological Polar Surface Area68.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count29
Formal Charge0
Complexity610
SMILES
CC1=C2C(=C(C=C1)F)C=C(N2)C(=O)N[C@@H]3CCC[C@@H](C3)N4CCN(CC4)C(=O)C
InChI
InChI=1S/C22H29FN4O2/c1-14-6-7-19(23)18-13-20(25-21(14)18)22(29)24-16-4-3-5-17(12-16)27-10-8-26(9-11-27)15(2)28/h6-7,13,16-17,25H,3-5,8-12H2,1-2H3,(H,24,29)/t16-,17+/m1/s1
InChIKey
PGNLXEBQMQHFNK-SJORKVTESA-N
Chemical Structure
2D Structure
2D structure of Ezm-0414
CAS: 2411748-50-8
CID: 146395245
Formula: C22H29FN4O2
MW: 400.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight400.5
XLogP32.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass400.22745434
Monoisotopic Mass400.22745434
Topological Polar Surface Area68.4 Ų
Heavy Atom Count29
Formal Charge0
Complexity610
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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