VH 101, thiol

CAT: 0804-HY-47851-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0804-HY-47851-01Size:10 mg

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Description

VH 101, thiol (compound 20) is a VHL ligand for the synthesis of PROTACs[1].

CAS Number

2358775-81-0

UNSPSC

12352005

Hazard Statement

H302-H315-H319-H335

Target

Ligands for E3 Ligase

Type

Reference compound

Related Pathways

PROTAC

Applications

Cancer-programmed cell death

Field of Research

Cancer

Assay Protocol

https://www.medchemexpress.com/vh-101-thiol.html

Purity

98.66

Solubility

DMSO : 100 mg/mL (ultrasonic)

Smiles

O=C(C1(CC1)F)N[C@@H](C(C)(S)C)C(N2[C@@H](C[C@H](C2)O)C(NCC3=CC=C(C4=C(N=CS4)C)C=C3)=O)=O

Molecular Formula

C25H31FN4O4S2

Molecular Weight

534.67

Precautions

P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

References & Citations

[1]Miriam Girardini, et al. Cereblon versus VHL: Hijacking E3 ligases against each other using PROTACs. Bioorg Med Chem. 2019 Jun 15;27 (12) :2466-2479.

Shipping Conditions

Room Temperature

Storage Conditions

-20°C, 3 years; 4°C, 2 years (Powder)

Scientific Category

Reference compound1

Clinical Information

No Development Reported

Isoform

Von Hippel-Lindau (VHL)

Chemical Information

VH 101, Thiol

CAS Number	2358775-81-0
PubChem CID	164864607
IUPAC Name	(2S,4R)-1-[(2R)-2-[(1-fluorocyclopropanecarbonyl)amino]-3-methyl-3-sulfanylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
Molecular Formula	C25H31FN4O4S2
Molecular Weight	534.7
XLogP	2.2
Topological Polar Surface Area	141
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	8
Heavy Atom Count	36
Formal Charge	0
Complexity	850

SMILES

CC1=C(SC=N1)C2=CC=C(C=C2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)S)NC(=O)C4(CC4)F)O

InChI

InChI=1S/C25H31FN4O4S2/c1-14-19(36-13-28-14)16-6-4-15(5-7-16)11-27-21(32)18-10-17(31)12-30(18)22(33)20(24(2,3)35)29-23(34)25(26)8-9-25/h4-7,13,17-18,20,31,35H,8-12H2,1-3H3,(H,27,32)(H,29,34)/t17-,18+,20-/m1/s1

InChIKey

RCVHBJGYHDKFGZ-WSTZPKSXSA-N

Chemical Structure

2D Structure

CAS: 2358775-81-0

CID: 164864607

Formula: C25H31FN4O4S2

MW: 534.7

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	534.7
XLogP3	2.2
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	8
Exact Mass	534.17707599
Monoisotopic Mass	534.17707599
Topological Polar Surface Area	141 Å²
Heavy Atom Count	36
Formal Charge	0
Complexity	850
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
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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Alternative Products

Catalog	Name
7884/50	VH 101 thiol
PC1001035	VH 101, thiol
T204996-01	Trans-VH 101-Thiol-C-cyclohexane-p-C-OTs
TCL-00075-01	Thiol-PEG3-thiol
GTR19275207-01	Thiol-PEG2-thiol
GEA56658-01	AS 101
MBS132374-01	AT 101
GTR19160965-01	AT-101

VH 101, thiol

Chemical Information

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