BRD PHOTAC-I-3 | CAS#2370997-94-5 | BET bromodomain degrader

MedKoo Cat#: 464122 | Name: BRD PHOTAC-I-3

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Description:

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

BRD PHOTAC-I-3 is a photoswitchable BET bromodomain degrader (PHOTAC, PHOtochemically TArgeting Chimera). BRD PHOTAC-I-3 comprises a ligand for an E3 ligase, a photoswitch, and the BET bromodomain targeting ligand (+)-JQ1. Exhibits cytotoxicity and degrades BRD4, BRD3 and to a lesser extent BRD2 in lymphoblast cells upon irradiation with 390 nm light, but not in the dark.

Chemical Structure

BRD PHOTAC-I-3

CAS#2370997-94-5

Theoretical Analysis

MedKoo Cat#: 464122

Name: BRD PHOTAC-I-3

CAS#: 2370997-94-5

Chemical Formula: C46H47ClN10O8S

Exact Mass: 934.2988

Molecular Weight: 935.45

Elemental Analysis: C, 59.06; H, 5.06; Cl, 3.79; N, 14.97; O, 13.68; S, 3.43

Price and Availability

Size	Price	Availability	Quantity
5mg	USD 750.00	2 Weeks

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Related CAS #

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Synonym

BRD PHOTAC-I-3; BRD PHOTAC I-3; BRD PHOTAC-I 3; BRD PHOTAC I 3;

IUPAC/Chemical Name

2-((S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)-N-(4-(2-(4-((E)-(2-(2,6-dioxopiperidin-3-yl)-1-oxoisoindolin-4-yl)diazenyl)-2,6-dimethoxyphenoxy)acetamido)butyl)acetamide

InChi Key

SGZZPSOQAWRZGE-RCBZUBGNSA-N

InChi Code

InChI=1S/C46H47ClN10O8S/c1-24-25(2)66-46-40(24)41(27-11-13-28(47)14-12-27)50-33(43-55-52-26(3)57(43)46)21-38(59)48-17-6-7-18-49-39(60)23-65-42-35(63-4)19-29(20-36(42)64-5)53-54-32-10-8-9-30-31(32)22-56(45(30)62)34-15-16-37(58)51-44(34)61/h8-14,19-20,33-34H,6-7,15-18,21-23H2,1-5H3,(H,48,59)(H,49,60)(H,51,58,61)/b54-53+/t33-,34?/m0/s1

SMILES Code

COC1=CC(/N=N/C2=C3CN(C4CCC(NC4=O)=O)C(C3=CC=C2)=O)=CC(OC)=C1OCC(NCCCCNC(C[C@@H]5N=C(C6=C(SC(C)=C6C)N7C(C)=NN=C57)C8=CC=C(Cl)C=C8)=O)=O

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

Soluble in DMSO

Shelf Life

>2 years if stored properly

Drug Formulation

This drug may be formulated in DMSO

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
Solubility
	Soluble in DMSO	0.0	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 935.45 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.