OKI-006

CAT: 0013-GTR19221297-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19221297-01Size:5 mg

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

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Description

OKI-006 is a potent, orally bioavailable HDAC inhibitor derived from largazole. It targets epigenetic dysregulation in cancer and has demonstrated research utility in both in vitro cellular assays and in vivo animal models for oncology studies.

CAS Number

1315334-23-6

Field of Research

Epigenetics & Chromatin, Molecular Biology

Smiles

CC (C) C1NC (=O) C (C) (C) NC (=O) c2csc (CNC (=O) C[C@H] (OC1=O) \C=C\CCS) n2

Molecular Formula

C21H30N4O5S2

Molecular Weight

482.62

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

CID 53258556

CAS Number	1315334-23-6
PubChem CID	53258556
IUPAC Name	(7S,10S)-4,4-dimethyl-7-propan-2-yl-10-[(E)-4-sulfanylbut-1-enyl]-9-oxa-16-thia-3,6,13,18-tetrazabicyclo[13.2.1]octadeca-1(17),15(18)-diene-2,5,8,12-tetrone
Molecular Formula	C21H30N4O5S2
Molecular Weight	482.6
XLogP	1.7
Topological Polar Surface Area	156
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	4
Heavy Atom Count	32
Formal Charge	0
Complexity	744

SMILES

CC(C)[C@H]1C(=O)O[C@@H](CC(=O)NCC2=NC(=CS2)C(=O)NC(C(=O)N1)(C)C)/C=C/CCS

InChI

InChI=1S/C21H30N4O5S2/c1-12(2)17-19(28)30-13(7-5-6-8-31)9-15(26)22-10-16-23-14(11-32-16)18(27)25-21(3,4)20(29)24-17/h5,7,11-13,17,31H,6,8-10H2,1-4H3,(H,22,26)(H,24,29)(H,25,27)/b7-5+/t13-,17+/m1/s1

InChIKey

ZASZPTHVPKWNCX-FDOGZAMYSA-N

Chemical Structure

2D Structure

CAS: 1315334-23-6

CID: 53258556

Formula: C21H30N4O5S2

MW: 482.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	482.6
XLogP3	1.7
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	4
Exact Mass	482.16576242
Monoisotopic Mass	482.16576242
Topological Polar Surface Area	156 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	744
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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