KHS101 HCl
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MedKoo CAT#: 563508

CAS#: 1784282-12-7 (HCl)

Description: KHS-101 is a selective TACC3 inhibitor. KHS101 suppresses cell growth, motility, epithelial-mesenchymal transition (EMT), and breast cancer cell stemness while it induces apoptotic cell death. KHS101 alters multiple biological processes and signaling pathways, and significantly reduces the expression of mitotic kinases Aurora A and Polo-like kinase 1 (PLK1), which are closely associated with TACC3. KHS101 disrupts energy metabolism in human glioblastoma cells and reduces tumor growth in mice.


Chemical Structure

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KHS101 HCl
CAS# 1784282-12-7 (HCl)

Theoretical Analysis

MedKoo Cat#: 563508
Name: KHS101 HCl
CAS#: 1784282-12-7 (HCl)
Chemical Formula: C18H22ClN5S
Exact Mass: 375.1284
Molecular Weight: 375.91
Elemental Analysis: C, 57.51; H, 5.90; Cl, 9.43; N, 18.63; S, 8.53

Price and Availability

Size Price Availability Quantity
10.0mg USD 350.0 2 Weeks
50.0mg USD 1250.0 2 Weeks
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Related CAS #: 1784282-12-7 (HCl)   1262770-73-9 (free base)    

Synonym: KHS101 hydrochloride; KHS-101 HCl; KHS 101; KHS101;

IUPAC/Chemical Name: N4-isobutyl-N2-((2-phenylthiazol-4-yl)methyl)pyrimidine-2,4-diamine hydrochloride

InChi Key: INVQHPQJFRKGIO-UHFFFAOYSA-N

InChi Code: InChI=1S/C18H21N5S.ClH/c1-13(2)10-20-16-8-9-19-18(23-16)21-11-15-12-24-17(22-15)14-6-4-3-5-7-14;/h3-9,12-13H,10-11H2,1-2H3,(H2,19,20,21,23);1H

SMILES Code: CC(C)CNC1=NC(NCC2=CSC(C3=CC=CC=C3)=N2)=NC=C1.[H]Cl

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: >3 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: 2934.99.03.00

Preparing Stock Solutions

The following data is based on the product molecular weight 375.91 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

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1: Parma B, Ramesh V, Gollavilli PN, Siddiqui A, Pinna L, Schwab A, Marschall S, Zhang S, Pilarsky C, Napoli F, Volante M, Urbanczyk S, Mielenz D, Schrøder HD, Stemmler M, Wurdak H, Ceppi P. Metabolic impairment of non-small cell lung cancers by mitochondrial HSPD1 targeting. J Exp Clin Cancer Res. 2021 Aug 7;40(1):248. doi: 10.1186/s13046-021-02049-8. PMID: 34364401; PMCID: PMC8348813.

2: Polson ES, Kuchler VB, Abbosh C, Ross EM, Mathew RK, Beard HA, da Silva B, Holding AN, Ballereau S, Chuntharpursat-Bon E, Williams J, Griffiths HBS, Shao H, Patel A, Davies AJ, Droop A, Chumas P, Short SC, Lorger M, Gestwicki JE, Roberts LD, Bon RS, Allison SJ, Zhu S, Markowetz F, Wurdak H. KHS101 disrupts energy metabolism in human glioblastoma cells and reduces tumor growth in mice. Sci Transl Med. 2018 Aug 15;10(454):eaar2718. doi: 10.1126/scitranslmed.aar2718. PMID: 30111643.

3: Campo L, Breuer EK. Inhibition of TACC3 by a small molecule inhibitor in breast cancer. Biochem Biophys Res Commun. 2018 Apr 15;498(4):1085-1092. doi: 10.1016/j.bbrc.2018.03.125. Epub 2018 Mar 19. PMID: 29555478.

4: Tamura R, Yoshihara K, Saito T, Ishimura R, Martínez-Ledesma JE, Xin H, Ishiguro T, Mori Y, Yamawaki K, Suda K, Sato S, Itamochi H, Motoyama T, Aoki Y, Okuda S, Casingal CR, Nakaoka H, Inoue I, Verhaak RGW, Komatsu M, Enomoto T. Novel therapeutic strategy for cervical cancer harboring FGFR3-TACC3 fusions. Oncogenesis. 2018 Jan 23;7(1):4. doi: 10.1038/s41389-017-0018-2. PMID: 29358619; PMCID: PMC5833787.

5: Zhang Y, Kibaly C, Xu C, Loh HH, Law PY. Temporal effect of manipulating NeuroD1 expression with the synthetic small molecule KHS101 on morphine contextual memory. Neuropharmacology. 2017 Nov;126:58-69. doi: 10.1016/j.neuropharm.2017.08.030. Epub 2017 Aug 24. PMID: 28842345.

6: Zhou DS, Wang HB, Zhou ZG, Zhang YJ, Zhong Q, Xu L, Huang YH, Yeung SC, Chen MS, Zeng MS. TACC3 promotes stemness and is a potential therapeutic target in hepatocellular carcinoma. Oncotarget. 2015 Sep 15;6(27):24163-77. doi: 10.18632/oncotarget.4643. PMID: 26219398; PMCID: PMC4695177.

7: Guo Y, Partch CL, Key J, Card PB, Pashkov V, Patel A, Bruick RK, Wurdak H, Gardner KH. Regulating the ARNT/TACC3 axis: multiple approaches to manipulating protein/protein interactions with small molecules. ACS Chem Biol. 2013 Mar 15;8(3):626-35. doi: 10.1021/cb300604u. Epub 2012 Dec 26. PMID: 23240775; PMCID: PMC3600089.

8: Wurdak H, Zhu S, Min KH, Aimone L, Lairson LL, Watson J, Chopiuk G, Demas J, Charette B, Halder R, Weerapana E, Cravatt BF, Cline HT, Peters EC, Zhang J, Walker JR, Wu C, Chang J, Tuntland T, Cho CY, Schultz PG. A small molecule accelerates neuronal differentiation in the adult rat. Proc Natl Acad Sci U S A. 2010 Sep 21;107(38):16542-7. doi: 10.1073/pnas.1010300107. Epub 2010 Sep 7. Erratum in: Proc Natl Acad Sci U S A. 2010 Dec 21;107(51):22360. Halder, Rajkumar [added]. PMID: 20823227; PMCID: PMC2944756.