OKI-006

CAT: 0931-T74368-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0931-T74368-01Size:5 mg

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

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CAS Number

1315334-23-6

Target

Others, HDAC

Related Pathways

DNA Damage/DNA Repair, Others, Chromatin/Epigenetic

Bioactivity

OKI-006, a potent and orally active histone deacetylase (HDAC) inhibitor, stands as a distinctive derivative of the natural product HDAC inhibitor, largazole. By targeting HDACs—key players in epigenomic regulation whose dysfunction often occurs in numerous human cancers—OKI-006 holds promise for cancer research applications [1].

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

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

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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Catalog	Name
HY-144893	OKI-006
MBS1385645-01	Recombinant Laticauda laticaudata Short neurotoxin OKI-10
SLA05342-01	CCI-006
HY-16632	ELND 006
bs-7025C-01	LYS-006
BUP05084-01	SYA 006
GTR19264479-01	DF-006
M10618-01	ZL-006
HY-165489	AU-006
MBS5812575	NCI-006

OKI-006

Chemical Information

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