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MedKoo Cat#: 208425 | Name: FRAX1036 dihydrochloride

Description:

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

FRAX1036 dihydrochloride is a PAK inhibitor which has been used as a strategy for various types of cancer such has melanoma and breast cancer

Chemical Structure

FRAX1036 dihydrochloride
FRAX1036 dihydrochloride
CAS#FRAX1036 dihydrochloride

Theoretical Analysis

MedKoo Cat#: 208425

Name: FRAX1036 dihydrochloride

CAS#: FRAX1036 dihydrochloride

Chemical Formula: C28H34Cl3N7O

Exact Mass: 589.1890

Molecular Weight: 590.98

Elemental Analysis: C, 56.91; H, 5.80; Cl, 18.00; N, 16.59; O, 2.71

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 #
1432908-05-8 (free base) FRAX1036 dihydrochloride
Synonym
frax1036 dihydrochloride, FRAX-1036-dihydrochloride
IUPAC/Chemical Name
6-[2-Chloro-4-(6-methylpyrazin-2-yl)phenyl]-8-ethyl-2-[2-(1-methylpiperidin-4-yl)ethylamino]pyrido[2,3-d]pyrimidin-7-one dihydrochloride
InChi Key
QKFJZXOOSUJAOT-UHFFFAOYSA-N
InChi Code
InChI=1S/C28H32ClN7O.2ClH/c1-4-36-26-21(16-32-28(34-26)31-10-7-19-8-11-35(3)12-9-19)13-23(27(36)37)22-6-5-20(14-24(22)29)25-17-30-15-18(2)33-25;;/h5-6,13-17,19H,4,7-12H2,1-3H3,(H,31,32,34);2*1H
SMILES Code
CC1=CN=CC(C2=CC=C(C3=CC4=CN=C(NCCC5CCN(C)CC5)N=C4N(CC)C3=O)C(Cl)=C2)=N1.Cl.Cl
Appearance
To be determined
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

Preparing Stock Solutions

The following data is based on the product molecular weight 590.98 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: Hawley E, Gehlhausen J, Karchugina S, Chow HY, Araiza-Olivera D, Radu M, Smith A, Burks C, Jiang L, Li X, Bessler W, Masters A, Edwards D, Burgin C, Jones D, Yates C, Clapp DW, Chernoff J, Park SJ. PAK1 inhibition reduces tumor size and extends the lifespan of mice in a genetically engineered mouse model of Neurofibromatosis Type 2 (NF2). Hum Mol Genet. 2021 Aug 12;30(17):1607-1617. doi: 10.1093/hmg/ddab106. PMID: 34075397; PMCID: PMC8369838. 2: Han D, Wang H, Cui W, Zhang B, Chen BZ. Computational insight into the mechanisms of action and selectivity of Afraxis PAK inhibitors. Future Med Chem. 2020 Mar;12(5):367-385. doi: 10.4155/fmc-2019-0273. Epub 2020 Feb 17. PMID: 32064922. 3: Uribe-Alvarez C, Guerrero-Rodríguez SL, Rhodes J, Cannon A, Chernoff J, Araiza-Olivera D. Targeting effector pathways in RAC1P29S-driven malignant melanoma. Small GTPases. 2021 Jul;12(4):273-281. doi: 10.1080/21541248.2020.1728469. Epub 2020 Feb 17. PMID: 32043900; PMCID: PMC8205048. 4: Korobeynikov V, Borakove M, Feng Y, Wuest WM, Koval AB, Nikonova AS, Serebriiskii I, Chernoff J, Borges VF, Golemis EA, Shagisultanova E. Combined inhibition of Aurora A and p21-activated kinase 1 as a new treatment strategy in breast cancer. Breast Cancer Res Treat. 2019 Sep;177(2):369-382. doi: 10.1007/s10549-019-05329-2. Epub 2019 Jun 28. PMID: 31254157; PMCID: PMC6661032. 5: Knippler CM, Saji M, Rajan N, Porter K, La Perle KMD, Ringel MD. MAPK- and AKT-activated thyroid cancers are sensitive to group I PAK inhibition. Endocr Relat Cancer. 2019 Aug;26(8):699-712. doi: 10.1530/ERC-19-0188. PMID: 31146260; PMCID: PMC7062234. 6: Semenova G, Stepanova DS, Dubyk C, Handorf E, Deyev SM, Lazar AJ, Chernoff J. Targeting group I p21-activated kinases to control malignant peripheral nerve sheath tumor growth and metastasis. Oncogene. 2017 Sep 21;36(38):5421-5431. doi: 10.1038/onc.2017.143. Epub 2017 May 22. PMID: 28534510; PMCID: PMC5608634. 7: Prudnikova TY, Chernoff J. The Group I Pak inhibitor Frax-1036 sensitizes 11q13-amplified ovarian cancer cells to the cytotoxic effects of Rottlerin. Small GTPases. 2017 Oct 2;8(4):193-198. doi: 10.1080/21541248.2016.1213089. Epub 2016 Jul 18. PMID: 27427770; PMCID: PMC5680705. 8: Ndubaku CO, Crawford JJ, Drobnick J, Aliagas I, Campbell D, Dong P, Dornan LM, Duron S, Epler J, Gazzard L, Heise CE, Hoeflich KP, Jakubiak D, La H, Lee W, Lin B, Lyssikatos JP, Maksimoska J, Marmorstein R, Murray LJ, O'Brien T, Oh A, Ramaswamy S, Wang W, Zhao X, Zhong Y, Blackwood E, Rudolph J. Design of Selective PAK1 Inhibitor G-5555: Improving Properties by Employing an Unorthodox Low-pK a Polar Moiety. ACS Med Chem Lett. 2015 Oct 31;6(12):1241-6. doi: 10.1021/acsmedchemlett.5b00398. PMID: 26713112; PMCID: PMC4677365. 9: Mortazavi F, Lu J, Phan R, Lewis M, Trinidad K, Aljilani A, Pezeshkpour G, Tamanoi F. Significance of KRAS/PAK1/Crk pathway in non-small cell lung cancer oncogenesis. BMC Cancer. 2015 May 9;15:381. doi: 10.1186/s12885-015-1360-4. PMID: 25956913; PMCID: PMC4477307. 10: Ong CC, Gierke S, Pitt C, Sagolla M, Cheng CK, Zhou W, Jubb AM, Strickland L, Schmidt M, Duron SG, Campbell DA, Zheng W, Dehdashti S, Shen M, Yang N, Behnke ML, Huang W, McKew JC, Chernoff J, Forrest WF, Haverty PM, Chin SF, Rakha EA, Green AR, Ellis IO, Caldas C, O'Brien T, Friedman LS, Koeppen H, Rudolph J, Hoeflich KP. Small molecule inhibition of group I p21-activated kinases in breast cancer induces apoptosis and potentiates the activity of microtubule stabilizing agents. Breast Cancer Res. 2015 Apr 23;17(1):59. doi: 10.1186/s13058-015-0564-5. PMID: 25902869; PMCID: PMC4445529.

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