SJF-0661 | CAS#2413035-43-3 | BRAF targeting PROTAC

MedKoo Cat#: 464860 | Name: SJF-0661

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Description:

WARNING: This product is for research use only, not for human or veterinary use.

SJF-0661 is a BRAF targeting PROTAC. SJF-0661 has an identical warhead and linker as SJF-0628 but contains an inverted hydroxyl group in the VHL ligand and is therefore unable to engage VHL to induce ubiquitination. SJF 0661 is the negative control for SJF 0628.

Chemical Structure

SJF-0661

CAS#2413035-43-3

Theoretical Analysis

MedKoo Cat#: 464860

Name: SJF-0661

CAS#: 2413035-43-3

Chemical Formula: C51H57F2N9O7S2

Exact Mass: 1009.3790

Molecular Weight: 1010.19

Elemental Analysis: C, 60.64; H, 5.69; F, 3.76; N, 12.48; O, 11.09; S, 6.35

Price and Availability

Size	Price	Availability	Quantity
5mg	USD 600.00	2 Weeks

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Related CAS #

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Synonym

SJF-0661; SJF0661; SJF 0661;

IUPAC/Chemical Name

(4S)-1-((S)-2-(2-(4-(4-(3-(2,6-difluoro-3-(propylsulfonamido)benzoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl)piperazin-1-yl)acetamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide

InChi Key

MBCAVOCJJAQHHT-RWHPRIBNSA-N

InChi Code

InChI=1S/C51H57F2N9O7S2/c1-6-21-71(68,69)59-40-16-15-39(52)43(44(40)53)45(65)38-26-55-48-37(38)22-34(25-54-48)32-11-13-35(14-12-32)61-19-17-60(18-20-61)28-42(64)58-47(51(3,4)5)50(67)62-27-36(63)23-41(62)49(66)56-24-31-7-9-33(10-8-31)46-30(2)57-29-70-46/h7-16,22,25-26,29,36,41,47,59,63H,6,17-21,23-24,27-28H2,1-5H3,(H,54,55)(H,56,66)(H,58,64)/t36-,41?,47+/m0/s1

SMILES Code

O=C(C1C[C@H](O)CN1C([C@@H](NC(CN2CCN(C3=CC=C(C4=CC5=C(NC=C5C(C6=C(C(NS(CCC)(=O)=O)=CC=C6F)F)=O)N=C4)C=C3)CC2)=O)C(C)(C)C)=O)NCC7=CC=C(C8=C(C)N=CS8)C=C7

Appearance

Solid powder

Purity

>98% (or refer to the Certificate of Analysis)

Shipping Condition

Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition

Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility

To be determined

Shelf Life

>2 years if stored properly

Drug Formulation

To be determined

Stock Solution Storage

0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code

2934.99.9001

More Info

Instruction

View handling instruction

	Solvent	mg/mL	mM	comments
Solubility
	To be determined	101.0	100.00

Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.

Preparing Stock Solutions

The following data is based on the product molecular weight 1,010.19 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.