YX968

CAT: 0013-GTR19238420-02Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19238420-02Size:10 mg

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

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Description

YX968 is a potent and selective dual degrader of HDAC3 and HDAC8, demonstrating DC50 values of 1.7 nM and 6.8 nM, respectively. Its anti-tumor mechanism involves the induction of apoptosis, supporting its use in cancer research for both in vitro and in vivo experimental applications.

CAS Number

2742732-92-7

Smiles

C ([C@@H] (NC (CCCCCCCN1CCN (CC1) C2=CC=C (C (NNCCC) =O) C=C2) =O) [C@@] (C) (C) C) (=O) N3[C@H] (C (N[C@@H] (C) C4=CC=C (C=C4) C5=C (C) N=CS5) =O) C[C@@H] (O) C3

Molecular Formula

C45H66N8O5S

Molecular Weight

831.12

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

(2S,4R)-1-[(2S)-3,3-dimethyl-2-[8-[4-[4-(propylaminocarbamoyl)phenyl]piperazin-1-yl]octanoylamino]butanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide

CAS Number	2742732-92-7
PubChem CID	169922490
IUPAC Name	(2S,4R)-1-[(2S)-3,3-dimethyl-2-[8-[4-[4-(propylaminocarbamoyl)phenyl]piperazin-1-yl]octanoylamino]butanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
Molecular Formula	C45H66N8O5S
Molecular Weight	831.1
XLogP	6.4
Topological Polar Surface Area	187
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	20
Heavy Atom Count	59
Formal Charge	0
Complexity	1330

SMILES

CCCNNC(=O)C1=CC=C(C=C1)N2CCN(CC2)CCCCCCCC(=O)N[C@H](C(=O)N3C[C@@H](C[C@H]3C(=O)N[C@@H](C)C4=CC=C(C=C4)C5=C(N=CS5)C)O)C(C)(C)C

InChI

InChI=1S/C45H66N8O5S/c1-7-22-47-50-42(56)35-18-20-36(21-19-35)52-26-24-51(25-27-52)23-12-10-8-9-11-13-39(55)49-41(45(4,5)6)44(58)53-29-37(54)28-38(53)43(57)48-31(2)33-14-16-34(17-15-33)40-32(3)46-30-59-40/h14-21,30-31,37-38,41,47,54H,7-13,22-29H2,1-6H3,(H,48,57)(H,49,55)(H,50,56)/t31-,37+,38-,41+/m0/s1

InChIKey

KBTKRNXLECYGBY-NERSTHRASA-N

Chemical Structure

2D Structure

CAS: 2742732-92-7

CID: 169922490

Formula: C45H66N8O5S

MW: 831.1

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	831.1
XLogP3	6.4
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	20
Exact Mass	830.48768841
Monoisotopic Mass	830.48768841
Topological Polar Surface Area	187 Å²
Heavy Atom Count	59
Formal Charge	0
Complexity	1330
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
C04954-1mg	YX968
A24008-2	YX968 2mg
A24008-10	YX968 10mg
A24008-5	YX968 5mg
A24008-1	YX968 1mg

YX968

Chemical Information

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