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MedKoo Cat#: 532844 | Name: TX2-121-1

Description:

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

TX2-121-1 acts to inhibit HER3-dependent signalling and growth, to target HER3 for proteasome-mediated degradation. TX2-121-1 targets degradation reduces the amount of HER3 available to form the HER3 heterodimers believed to be required for cellular activity. TX2-121-1 is an analogue of TX1-85-1.

Chemical Structure

TX2-121-1
TX2-121-1
CAS#1603845-42-6

Theoretical Analysis

MedKoo Cat#: 532844

Name: TX2-121-1

CAS#: 1603845-42-6

Chemical Formula: C42H52N8O3

Exact Mass: 716.4162

Molecular Weight: 716.93

Elemental Analysis: C, 70.36; H, 7.31; N, 15.63; O, 6.69

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Related CAS #
No Data
Synonym
TX2-121-1; TX 21211; TX 2-121-1.
IUPAC/Chemical Name
(2R)-4-(1-adamantyl)-N-[2-[4-[4-amino-3-[4-phenoxy-3-(prop-2-enoylamino)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]ethyl]-2-methylbutanamide
InChi Key
GKJWHLDKQULMHJ-PZMWFESPSA-N
InChi Code
InChI=1S/C42H52N8O3/c1-3-36(51)47-34-22-31(9-10-35(34)53-33-7-5-4-6-8-33)38-37-39(43)45-26-46-40(37)50(48-38)32-12-16-49(17-13-32)18-15-44-41(52)27(2)11-14-42-23-28-19-29(24-42)21-30(20-28)25-42/h3-10,22,26-30,32H,1,11-21,23-25H2,2H3,(H,44,52)(H,47,51)(H2,43,45,46)/t27-,28?,29?,30?,42?/m1/s1
SMILES Code
O=C(NCCN1CCC(N2N=C(C3=CC=C(OC4=CC=CC=C4)C(NC(C=C)=O)=C3)C5=C(N)N=CN=C52)CC1)[C@H](C)CCC67CC8CC(C7)CC(C8)C6
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

Preparing Stock Solutions

The following data is based on the product molecular weight 716.93 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.

Recalculate based on batch purity %
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: 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. PubMed PMID: 26094118; PubMed Central PMCID: PMC4633287. 2: 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. PubMed PMID: 25326665; PubMed Central PMCID: PMC4232461.