STR-V-53

CAT: 0931-T87447-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0931-T87447-02Size:50 mg

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

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CAS Number

2798954-66-0

Target

HDAC

Related Pathways

DNA Damage/DNA Repair, Chromatin/Epigenetic

Bioactivity

STR-V-53, an HDAC inhibitor (IC50 in nM), increases histone acetylation in tumor cells by inhibiting these enzymes, thereby regulating gene expression. STR-V-53 inhibits tumor growth and induces apoptosis [1].

Smiles

C(CCCCCC(NO)=O)N1C=C(C2=CC=C(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C=C2)N=N1

Molecular Formula

C21H30N4O8

Molecular Weight

466.48

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

N-hydroxy-7-[4-[4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]triazol-1-yl]heptanamide

CAS Number	2798954-66-0
PubChem CID	164565072
IUPAC Name	N-hydroxy-7-[4-[4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]triazol-1-yl]heptanamide
Molecular Formula	C21H30N4O8
Molecular Weight	466.5
XLogP	-0.5
Topological Polar Surface Area	179
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	11
Heavy Atom Count	33
Formal Charge	0
Complexity	595

SMILES

C1=CC(=CC=C1C2=CN(N=N2)CCCCCCC(=O)NO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O

InChI

InChI=1S/C21H30N4O8/c26-12-16-18(28)19(29)20(30)21(33-16)32-14-8-6-13(7-9-14)15-11-25(24-22-15)10-4-2-1-3-5-17(27)23-31/h6-9,11,16,18-21,26,28-31H,1-5,10,12H2,(H,23,27)/t16-,18-,19+,20-,21+/m1/s1

InChIKey

QEKXBUOEJPBOPV-RQXATKFSSA-N

Chemical Structure

2D Structure

CAS: 2798954-66-0

CID: 164565072

Formula: C21H30N4O8

MW: 466.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	466.5
XLogP3	-0.5
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	11
Exact Mass	466.20636393
Monoisotopic Mass	466.20636393
Topological Polar Surface Area	179 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	595
Isotope Atom Count	0
Defined Atom Stereocenter Count	5
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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T200482-01	NLRP3-IN-53
T85553-01	AChE-IN-53
T71051-01	OSU-53
T200595-01	HPK1-IN-53
T82089-01	ICMT-IN-53

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GTR19234605-01	STR-V-53
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STR-V-53

Chemical Information

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