TX1-85-1 | ErbB3 inhibitor | CAS#1603845-32-4

MedKoo Cat#: 406966 | Name: TX1-85-1

Description:

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

TX1-85-1 is ErbB3 inhibitor. TX2-121-1 may exert Her3-dependent pharmacology through an allosteric mechanismthereby disrupting interactions between Her3 and other proteins such as Her3 or cMet consistent with results presented here and distinct from conventional kinase inhibitors, which block catalytic function. Her3 (also known as ErbB3) belongs to the epidermal growth factor receptor tyrosine kinases and is well credentialed as an anti-cancer target but is thought to be 'undruggable' using ATP-competitive small molecules because it lacks appreciable kinase activity.

Chemical Structure

TX1-85-1

CAS#1603845-32-4

Theoretical Analysis

MedKoo Cat#: 406966

Name: TX1-85-1

CAS#: 1603845-32-4

Chemical Formula: C32H36N8O3

Exact Mass: 580.2910

Molecular Weight: 580.69

Elemental Analysis: C, 66.19; H, 6.25; N, 19.30; O, 8.27

Price and Availability

Size	Price	Availability
5mg	USD 325.00	2 Weeks
10mg	USD 585.00	2 Weeks
50mg	USD 1,150.00	2 Weeks
100mg	USD 1,950.00	2 Weeks

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Related CAS #

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Synonym

TX1-85-1; TX1 85-1; TX185-1; TX1851; TX 1851; TX-1851.

IUPAC/Chemical Name

N-(5-(1-(4-(4-Acetylpiperazin-1-yl)cyclohexyl)-4-amino-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-2-phenoxyphenyl)acrylamide

InChi Key

FYICDSWKKFSYOM-UHFFFAOYSA-N

InChi Code

InChI=1S/C32H36N8O3/c1-3-28(42)36-26-19-22(9-14-27(26)43-25-7-5-4-6-8-25)30-29-31(33)34-20-35-32(29)40(37-30)24-12-10-23(11-13-24)39-17-15-38(16-18-39)21(2)41/h3-9,14,19-20,23-24H,1,10-13,15-18H2,2H3,(H,36,42)(H2,33,34,35)

SMILES Code

C=CC(NC1=CC(C2=NN(C3CCC(N4CCN(C(C)=O)CC4)CC3)C5=NC=NC(N)=C52)=CC=C1OC6=CC=CC=C6)=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

Certificate of Analysis

View CoA: current batch, Lot#A9O09B18

Safety Data Sheet (SDS)

View Safety Data Sheet (SDS)

Instruction

View handling instruction

Preparing Stock Solutions

The following data is based on the product molecular weight 580.69 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.

Concentration / Solvent Volume / Mass	1 mg	5 mg	10 mg
1 mM	1.15 mL	5.76 mL	11.51 mL
5 mM	0.23 mL	1.15 mL	2.3 mL
10 mM	0.12 mL	0.58 mL	1.15 mL
50 mM	0.02 mL	0.12 mL	0.23 mL

1: Hassan G, Zahra MH, Seno A, Seno M. The significance of ErbB2/3 in the conversion of induced pluripotent stem cells into cancer stem cells. Sci Rep. 2022 Feb 17;12(1):2711. doi: 10.1038/s41598-022-04980-y. PMID: 35177646; PMCID: PMC8854581. 2: Lim SM, Xie T, Westover KD, Ficarro SB, Tae HS, Gurbani D, Sim T, Marto JA, Jänne PA, Crews CM, Gray NS. Development of small molecules targeting the pseudokinase Her3. Bioorg Med Chem Lett. 2015 Aug 15;25(16):3382-9. doi: 10.1016/j.bmcl.2015.04.103. Epub 2015 May 11. PMID: 26094118; PMCID: PMC4633287. 3: Xie T, Lim SM, Westover KD, Dodge ME, Ercan D, Ficarro SB, Udayakumar D, Gurbani D, Tae HS, Riddle SM, Sim T, Marto JA, Jänne PA, Crews CM, Gray NS. Pharmacological targeting of the pseudokinase Her3. Nat Chem Biol. 2014 Dec;10(12):1006-12. doi: 10.1038/nchembio.1658. Epub 2014 Oct 19. PMID: 25326665; PMCID: PMC4232461.