SR-3029 | CAS#1454585-06-8

SR-3029
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WARNING: This product is for research use only, not for human or veterinary use.

MedKoo CAT#: 406961

CAS#: 1454585-06-8

Description: SR-3029 is a potent and selective casein kinase 1δ/1ε (CK1δ/ε) inhibitor with potent antiproliferative properties SR-3029 shoed IC50:= 97 nM in MTT assays against the human A375 melanoma cell line and have physical, in vitro and in vivo PK properties suitable for use in proof of principle animal xenograft studies against human cancer cell lines.

Chemical Structure

SR-3029

CAS# 1454585-06-8

Product data Instruction

Theoretical Analysis

MedKoo Cat#: 406961
Name: SR-3029
CAS#: 1454585-06-8
Chemical Formula: C23H19F3N8O
Exact Mass: 480.16
Molecular Weight: 480.460
Elemental Analysis: C, 57.50; H, 3.99; F, 11.86; N, 23.32; O, 3.33

Price and Availability

Size	Price	Availability
50mg	USD 750	2 Weeks
100mg	USD 1250	2 Weeks
200mg	USD 2050	2 Weeks
500mg	USD 3650	2 Weeks
1g	USD 5450	2 Weeks
Bulk inquiry Welcome, Customer: Please do not inquire quote if your intended use is for a patient since our products are for research use and for chemical synthesis use, not for human use . For in-stock products, we listed price in the web page. You may inquire prices for which sizes were not listed. If no price is listed, this means the product is not in stock at the moment, which may be available via custom synthesis. For cost-effective reason, minimum order of 1g is requested (typically very expensive). The lead time is usually 2-4 months. Quote of less than 1g will not be provided. MedKoo may not offer quote for below reasons: (1) current available synthetic method appears to be extremely expensive which is obviously not affordable to most customers; (2) Key raw material to make the product is temporally not available; (3) DEA controlled substances; (4) the product is under patent protection in customer’s country.

Synonym: SR-3029; SR 3029; SR3029.

IUPAC/Chemical Name: (6,7-Difluoro-1H-benzoimidazol-2-ylmethyl)-[9-(3-fluoro-phenyl)-2-morpholin-4-yl-9H-purin-6-yl]-amine

InChi Key: CEBMEQPREMCWOL-UHFFFAOYSA-N

InChi Code: InChI=1S/C23H19F3N8O/c24-13-2-1-3-14(10-13)34-12-28-20-21(31-23(32-22(20)34)33-6-8-35-9-7-33)27-11-17-29-16-5-4-15(25)18(26)19(16)30-17/h1-5,10,12H,6-9,11H2,(H,29,30)(H,27,31,32)

SMILES Code: FC1=CC(N2C=NC3=C(NCC4=NC5=CC=C(F)C(F)=C5N4)N=C(N6CCOCC6)N=C23)=CC=C1

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 and DMF

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:

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Biological target:	SR-3029 is a CK1δ and CK1ε inhibitor (IC50s = 44 and 260 nM, respectively). It is selective for CK1δ and CK1ε over 438 kinases in a panel but also inhibits MYLK4, FLT3, Cdk4/cyclin D1, and MARK2 by greater than 90% at 10 µM. SR-3029 inhibits Cdk4/cyclin D1, Cdk4/cyclin D3, Cdk6/cyclin D1, Cdk6/cyclin D3, and FLT3 with IC50 values of 576, 368, 428, 427, and 3000 nM, respectively. It inhibits proliferation of A375 human melanoma cells in vitro (EC50 = 86 nM).
In vitro activity:	This study developed a series of potent and highly kinase selective inhibitors, including SR-3029, which have IC50 ≤ 50 nM versus CK1δ. The two lead compounds, SR-3029 and SR-2890, have ≤100 nM EC50 values in MTT assays against the human A375 melanoma cell line. Reference: Bioorg Med Chem Lett. 2013 Aug 1;23(15):4374-80. https://pubmed.ncbi.nlm.nih.gov/23787102/
In vivo activity:	The combination of SR-3029 and gemcitabine holds promise as a future therapeutic option for cancers with upregulated CK1δ expression, such as pancreatic ductal adenocarcinoma. In an orthotopic pancreatic tumor model, there was improved efficacy with combination treatment of SR-3029 and gemcitabine concomitant with increased dCK expression. Reference: Mol Cancer Ther. 2020 Aug;19(8):1623-1635. https://pubmed.ncbi.nlm.nih.gov/32430484/

Solubility Data

	Solvent	Max Conc. mg/mL	Max Conc. mM
Solubility
	DMF	30.0	62.44
	DMSO	30.0	62.44

Preparing Stock Solutions

The following data is based on the product molecular weight 480.46 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. Johannes JW, Denz CR, Su N, Wu A, Impastato AC, Mlynarski S, Varnes JG, Prince DB, Cidado J, Gao N, Haddrick M, Jones NH, Li S, Li X, Liu Y, Nguyen TB, O'Connell N, Rivers E, Robbins DW, Tomlinson R, Yao T, Zhu X, Ferguson AD, Lamb ML, Manchester JI, Guichard S. Structure-Based Design of Selective Noncovalent CDK12 Inhibitors. ChemMedChem. 2018 Feb 6;13(3):231-235. doi: 10.1002/cmdc.201700695. Epub 2018 Jan 26. PMID: 29266803. 2. Bibian M, Rahaim RJ, Choi JY, Noguchi Y, Schürer S, Chen W, Nakanishi S, Licht K, Rosenberg LH, Li L, Feng Y, Cameron MD, Duckett DR, Cleveland JL, Roush WR. Development of highly selective casein kinase 1δ/1ε (CK1δ/ε) inhibitors with potent antiproliferative properties. Bioorg Med Chem Lett. 2013 Aug 1;23(15):4374-80. doi: 10.1016/j.bmcl.2013.05.075. Epub 2013 May 31. PMID: 23787102; PMCID: PMC3783656. 3. Burger KL, Fernandez MR, Meads MB, Sudalagunta P, Oliveira PS, Renatino Canevarolo R, Alugubelli RR, Tungsevik A, De Avila G, Silva M, Graeter AI, Dai HA, Vincelette ND, Prabhu A, Magaletti D, Yang C, Li W, Kulkarni A, Hampton O, Koomen JM, Roush WR, Monastyrskyi A, Berglund AE, Silva AS, Cleveland JL, Shain KH. CK1δ and CK1ε Signaling Sustains Mitochondrial Metabolism and Cell Survival in Multiple Myeloma. Cancer Res. 2023 Dec 1;83(23):3901-3919. doi: 10.1158/0008-5472.CAN-22-2350. PMID: 37702657; PMCID: PMC10690099. 4. Vena F, Bayle S, Nieto A, Quereda V, Aceti M, Frydman SM, Sansil SS, Grant W, Monastyrskyi A, McDonald P, Roush WR, Teng M, Duckett D. Targeting Casein Kinase 1 Delta Sensitizes Pancreatic and Bladder Cancer Cells to Gemcitabine Treatment by Upregulating Deoxycytidine Kinase. Mol Cancer Ther. 2020 Aug;19(8):1623-1635. doi: 10.1158/1535-7163.MCT-19-0997. Epub 2020 May 19. PMID: 32430484; PMCID: PMC7415672.
In vitro protocol:	1. Johannes JW, Denz CR, Su N, Wu A, Impastato AC, Mlynarski S, Varnes JG, Prince DB, Cidado J, Gao N, Haddrick M, Jones NH, Li S, Li X, Liu Y, Nguyen TB, O'Connell N, Rivers E, Robbins DW, Tomlinson R, Yao T, Zhu X, Ferguson AD, Lamb ML, Manchester JI, Guichard S. Structure-Based Design of Selective Noncovalent CDK12 Inhibitors. ChemMedChem. 2018 Feb 6;13(3):231-235. doi: 10.1002/cmdc.201700695. Epub 2018 Jan 26. PMID: 29266803. 2. Bibian M, Rahaim RJ, Choi JY, Noguchi Y, Schürer S, Chen W, Nakanishi S, Licht K, Rosenberg LH, Li L, Feng Y, Cameron MD, Duckett DR, Cleveland JL, Roush WR. Development of highly selective casein kinase 1δ/1ε (CK1δ/ε) inhibitors with potent antiproliferative properties. Bioorg Med Chem Lett. 2013 Aug 1;23(15):4374-80. doi: 10.1016/j.bmcl.2013.05.075. Epub 2013 May 31. PMID: 23787102; PMCID: PMC3783656.
In vivo protocol:	1. Burger KL, Fernandez MR, Meads MB, Sudalagunta P, Oliveira PS, Renatino Canevarolo R, Alugubelli RR, Tungsevik A, De Avila G, Silva M, Graeter AI, Dai HA, Vincelette ND, Prabhu A, Magaletti D, Yang C, Li W, Kulkarni A, Hampton O, Koomen JM, Roush WR, Monastyrskyi A, Berglund AE, Silva AS, Cleveland JL, Shain KH. CK1δ and CK1ε Signaling Sustains Mitochondrial Metabolism and Cell Survival in Multiple Myeloma. Cancer Res. 2023 Dec 1;83(23):3901-3919. doi: 10.1158/0008-5472.CAN-22-2350. PMID: 37702657; PMCID: PMC10690099. 2. Vena F, Bayle S, Nieto A, Quereda V, Aceti M, Frydman SM, Sansil SS, Grant W, Monastyrskyi A, McDonald P, Roush WR, Teng M, Duckett D. Targeting Casein Kinase 1 Delta Sensitizes Pancreatic and Bladder Cancer Cells to Gemcitabine Treatment by Upregulating Deoxycytidine Kinase. Mol Cancer Ther. 2020 Aug;19(8):1623-1635. doi: 10.1158/1535-7163.MCT-19-0997. Epub 2020 May 19. PMID: 32430484; PMCID: PMC7415672.

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1: Rosenberg LH, Lafitte M, Quereda V, Grant W, Chen W, Bibian M, Noguchi Y,
Fallahi M, Yang C, Chang JC, Roush WR, Cleveland JL, Duckett DR. Therapeutic
targeting of casein kinase 1δ in breast cancer. Sci Transl Med. 2015 Dec
16;7(318):318ra202. doi: 10.1126/scitranslmed.aac8773. PubMed PMID: 26676609;
PubMed Central PMCID: PMC4809734.

2: Bibian M, Rahaim RJ, Choi JY, Noguchi Y, Schürer S, Chen W, Nakanishi S, Licht
K, Rosenberg LH, Li L, Feng Y, Cameron MD, Duckett DR, Cleveland JL, Roush WR.
Development of highly selective casein kinase 1δ/1ε (CK1δ/ε) inhibitors with
potent antiproliferative properties. Bioorg Med Chem Lett. 2013 Aug
1;23(15):4374-80. doi: 10.1016/j.bmcl.2013.05.075. PubMed PMID: 23787102; PubMed
Central PMCID: PMC3783656.

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