CRT0066101 HCl | CAS#1883545-60-5 | PKD Inhibitor| MedKoo

MedKoo Cat#: 531753 | Name: CRT0066101 HCl

Description:

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

CRT 0066101 is a potent inhibitor of protein kinase D (PKD). It inhibits all PKD isoforms (IC50 values are 1, 2 and 2.5 nM for PKD1, PKD3 and PKD2 respectively). CRT 0066101 exhibits selectivity for PKD against a panel of >90 protein kinases, including PKCα, MEK, ERK, c-Raf and c-Src.

Chemical Structure

CRT0066101 HCl

CAS#1883545-60-5 (HCl)

Theoretical Analysis

MedKoo Cat#: 531753

Name: CRT0066101 HCl

CAS#: 1883545-60-5 (HCl)

Chemical Formula: C18H24Cl2N6O

Exact Mass: 0.0000

Molecular Weight: 411.33

Elemental Analysis: C, 52.56; H, 5.88; Cl, 17.24; N, 20.43; O, 3.89

Price and Availability

Size	Price	Availability
10mg	USD 450.00	2 Weeks
25mg	USD 850.00	2 Weeks
200mg	USD 2,650.00	2 Weeks
500mg	USD 3,450.00	2 Weeks
1g	USD 4,450.00	2 Weeks
2g	USD 7,450.00	2 Weeks

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Related CAS #

956121-30-5 (free base) 1883545-60-5 (HCl)

Synonym

CRT 0066101; CRT-0066101; CRT0066101; CRT0066101 HCl; CRT0066101 hydrochloride

IUPAC/Chemical Name

2-[4-[[(2R)-2-Aminobutyl]amino]pyrimidin-2-yl]-4-(1-methyl-1H-pyrazol-4-yl)phenol dihydrochloride

InChi Key

CXYCRYGNFKDPRH-FMOMHUKBSA-N

InChi Code

InChI=1S/C18H22N6O.2ClH/c1-3-14(19)10-21-17-6-7-20-18(23-17)15-8-12(4-5-16(15)25)13-9-22-24(2)11-13;;/h4-9,11,14,25H,3,10,19H2,1-2H3,(H,20,21,23);2*1H/t14-;;/m1../s1

SMILES Code

OC1=CC=C(C2=CN(C)N=C2)C=C1C3=NC=CC(NC[C@H](N)CC)=N3.[H]Cl.[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

>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

Product Data

Product Data

Instruction

View handling instruction

Biological target:

CRT0066101 dihydrochloride is a potent and specific PKD inhibitor with IC50 values of 1, 2.5 and 2 nM for PKD1, 2, and 3 respectively.

In vitro activity:

The time-course of CRT0066101 suppression of the proliferation of the four cell lines was characterized in vitro using the MTT assay. All of the four cell lines examined showed a maximal inhibitory effect at day 4 following CRT0066101 treatment (Fig. 2a). Reference: Cell Mol Life Sci. 2018 Mar; 75(5): 939–963. https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7984729/

In vivo activity:

Treatment of mice with CRT0066101 did result in a significant decrease of primary tumor size and weight (Fig. 5A, Supplemental Fig. S9), associated with an approximately 50% decrease in tumor cell proliferation (Fig. 5B), and an increase of apoptosis (Fig. 5C). Reference: Mol Cancer Ther. 2015 Jun; 14(6): 1306–1316. https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4458391/

	Solvent	mg/mL	mM
Solubility
	DMSO	19.4	47.19
	Ethanol	2.0	4.86
	Water	57.7	140.30

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 411.33 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

Formulation protocol:

1. Liu Y, Wang Y, Yu S, Zhou Y, Ma X, Su Q, An L, Wang F, Shi A, Zhang J, Chen L. The Role and Mechanism of CRT0066101 as an Effective Drug for Treatment of Triple-Negative Breast Cancer. Cell Physiol Biochem. 2019;52(3):382-396. doi: 10.33594/000000027. Epub 2019 Mar 8. PMID: 30845378. 2. Li QQ, Hsu I, Sanford T, Railkar R, Balaji N, Sourbier C, Vocke C, Balaji KC, Agarwal PK. Protein kinase D inhibitor CRT0066101 suppresses bladder cancer growth in vitro and xenografts via blockade of the cell cycle at G2/M. Cell Mol Life Sci. 2018 Mar;75(5):939-963. doi: 10.1007/s00018-017-2681-z. Epub 2017 Oct 25. PMID: 29071385; PMCID: PMC7984729. 3. Borges S, Perez EA, Thompson EA, Radisky DC, Geiger XJ, Storz P. Effective Targeting of Estrogen Receptor-Negative Breast Cancers with the Protein Kinase D Inhibitor CRT0066101. Mol Cancer Ther. 2015 Jun;14(6):1306-16. doi: 10.1158/1535-7163.MCT-14-0945. Epub 2015 Apr 7. PMID: 25852060; PMCID: PMC4458391.

In vitro protocol:

In vivo protocol:

1. Li QQ, Hsu I, Sanford T, Railkar R, Balaji N, Sourbier C, Vocke C, Balaji KC, Agarwal PK. Protein kinase D inhibitor CRT0066101 suppresses bladder cancer growth in vitro and xenografts via blockade of the cell cycle at G2/M. Cell Mol Life Sci. 2018 Mar;75(5):939-963. doi: 10.1007/s00018-017-2681-z. Epub 2017 Oct 25. PMID: 29071385; PMCID: PMC7984729. 2. Borges S, Perez EA, Thompson EA, Radisky DC, Geiger XJ, Storz P. Effective Targeting of Estrogen Receptor-Negative Breast Cancers with the Protein Kinase D Inhibitor CRT0066101. Mol Cancer Ther. 2015 Jun;14(6):1306-16. doi: 10.1158/1535-7163.MCT-14-0945. Epub 2015 Apr 7. PMID: 25852060; PMCID: PMC4458391.

1: Jensen DD, Zhao P, Jimenez-Vargas NN, Lieu T, Gerges M, Yeatman HR, Canals M, Vanner SJ, Poole DP, Bunnett NW. Protein Kinase D and Gβγ Subunits Mediate Agonist-evoked Translocation of Protease-activated Receptor-2 from the Golgi Apparatus to the Plasma Membrane. J Biol Chem. 2016 May 20;291(21):11285-99. doi: 10.1074/jbc.M115.710681. PubMed PMID: 27030010; PubMed Central PMCID: PMC4900274. 2: Borges S, Perez EA, Thompson EA, Radisky DC, Geiger XJ, Storz P. Effective Targeting of Estrogen Receptor-Negative Breast Cancers with the Protein Kinase D Inhibitor CRT0066101. Mol Cancer Ther. 2015 Jun;14(6):1306-16. doi: 10.1158/1535-7163.MCT-14-0945. PubMed PMID: 25852060; PubMed Central PMCID: PMC4458391. 3: Bernhart E, Damm S, Wintersperger A, DeVaney T, Zimmer A, Raynham T, Ireson C, Sattler W. Protein kinase D2 regulates migration and invasion of U87MG glioblastoma cells in vitro. Exp Cell Res. 2013 Aug 1;319(13):2037-48. doi: 10.1016/j.yexcr.2013.03.029. PubMed PMID: 23562655; PubMed Central PMCID: PMC3715702. 4: Young SH, Rozengurt N, Sinnett-Smith J, Rozengurt E. Rapid protein kinase D1 signaling promotes migration of intestinal epithelial cells. Am J Physiol Gastrointest Liver Physiol. 2012 Aug 1;303(3):G356-66. doi: 10.1152/ajpgi.00025.2012. PubMed PMID: 22595992; PubMed Central PMCID: PMC3423107. 5: Thrower EC, Yuan J, Usmani A, Liu Y, Jones C, Minervini SN, Alexandre M, Pandol SJ, Guha S. A novel protein kinase D inhibitor attenuates early events of experimental pancreatitis in isolated rat acini. Am J Physiol Gastrointest Liver Physiol. 2011 Jan;300(1):G120-9. doi: 10.1152/ajpgi.00300.2010. PubMed PMID: 20947701; PubMed Central PMCID: PMC3025506. 6: Ochi N, Tanasanvimon S, Matsuo Y, Tong Z, Sung B, Aggarwal BB, Sinnett-Smith J, Rozengurt E, Guha S. Protein kinase D1 promotes anchorage-independent growth, invasion, and angiogenesis by human pancreatic cancer cells. J Cell Physiol. 2011 Apr;226(4):1074-81. doi: 10.1002/jcp.22421. PubMed PMID: 20857418. 7: Harikumar KB, Kunnumakkara AB, Ochi N, Tong Z, Deorukhkar A, Sung B, Kelland L, Jamieson S, Sutherland R, Raynham T, Charles M, Bagherzadeh A, Foxton C, Boakes A, Farooq M, Maru D, Diagaradjane P, Matsuo Y, Sinnett-Smith J, Gelovani J, Krishnan S, Aggarwal BB, Rozengurt E, Ireson CR, Guha S. A novel small-molecule inhibitor of protein kinase D blocks pancreatic cancer growth in vitro and in vivo. Mol Cancer Ther. 2010 May;9(5):1136-46. doi: 10.1158/1535-7163.MCT-09-1145. Erratum in: Mol Cancer Ther. 2010 Jul;9(7):2153. Bagherazadeh, Azadeh [corrected to Bagherzadeh, Azadeh]. PubMed PMID: 20442301; PubMed Central PMCID: PMC2905628.