OTs-C6-OBn

CAT: 0804-HY-130621-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0804-HY-130621-01Size:50 mg

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

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Description

OTs-C6-OBn is an alkyl chain-based PROTAC linker can be used in the synthesis of PROTAC SGK3 degrader-1.

CAS Number

126519-80-0

UNSPSC

12352005

Hazard Statement

H302-H315-H319-H335

Target

PROTAC Linkers

Type

Reference compound

Related Pathways

PROTAC

Applications

Cancer-programmed cell death

Field of Research

Cancer

Assay Protocol

https://www.medchemexpress.com/ots-c6-obn.html

Purity

98.07

Solubility

DMSO : 100 mg/mL (ultrasonic)

Smiles

O=S(C1=CC=C(C)C=C1)(OCCCCCCOCC2=CC=CC=C2)=O

Molecular Formula

C20H26O4S

Molecular Weight

362.48

Precautions

P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

References & Citations

[1]Tovell H, et al. Design and Characterization of SGK3-PROTAC1, an Isoform Specific SGK3 Kinase PROTAC Degrader. ACS Chem Biol. 2019 Sep 20;14 (9) :2024-2034.

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

Alkyl-Chain Linkers

Chemical Information

OTs-C6-OBn

CAS Number	126519-80-0
PubChem CID	15525438
IUPAC Name	6-phenylmethoxyhexyl 4-methylbenzenesulfonate
Molecular Formula	C20H26O4S
Molecular Weight	362.5
XLogP	4.3
Topological Polar Surface Area	61
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	11
Heavy Atom Count	25
Formal Charge	0
Complexity	429

SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCCCCOCC2=CC=CC=C2

InChI

InChI=1S/C20H26O4S/c1-18-11-13-20(14-12-18)25(21,22)24-16-8-3-2-7-15-23-17-19-9-5-4-6-10-19/h4-6,9-14H,2-3,7-8,15-17H2,1H3

InChIKey

VVUMHKDBEGSVMR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 126519-80-0

CID: 15525438

Formula: C20H26O4S

MW: 362.5

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	362.5
XLogP3	4.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	11
Exact Mass	362.15518048
Monoisotopic Mass	362.15518048
Topological Polar Surface Area	61 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	429
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
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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