LDC4297 | CAS#1453834-21-3 | CDK7 inhibitor

LDC4297
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WARNING: This product is for research use only, not for human or veterinary use.

MedKoo CAT#: 407486

CAS#: 1453834-21-3

Description: LDC4297, also known as LCD044297, is a potent and selective CDK7 inhibitor. LDC4297 exerts broad-spectrum antiviral activity. LDC4297 inhibits CDK7 in vitro in the nano-picomolar range. CDK7 inhibitor LDC4297 is a promising candidate for further antiviral drug development, possibly offering new options for a comprehensive approach to antiviral therapy.

Chemical Structure

LDC4297

CAS# 1453834-21-3

Product data Instruction

Theoretical Analysis

MedKoo Cat#: 407486
Name: LDC4297
CAS#: 1453834-21-3
Chemical Formula: C23H28N8O
Exact Mass: 432.24
Molecular Weight: 432.532
Elemental Analysis: C, 63.87; H, 6.53; N, 25.91; O, 3.70

Price and Availability

Size	Price	Availability
10mg	USD 200	2 Weeks
25mg	USD 400	2 Weeks
50mg	USD 650	2 Weeks
100mg	USD 1050	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: LDC4297; LDC-4297; LDC 4297; LCD044297; LCD-044297; LCD 044297.

IUPAC/Chemical Name: N-(2-(1H-pyrazol-1-yl)benzyl)-8-isopropyl-2-(piperidin-3-yloxy)pyrazolo[1,5-a][1,3,5]triazin-4-amine

InChi Key: LSGRZENCFIIHNV-UHFFFAOYSA-N

InChi Code: InChI=1S/C23H28N8O/c1-16(2)19-15-27-31-21(19)28-23(32-18-8-5-10-24-14-18)29-22(31)25-13-17-7-3-4-9-20(17)30-12-6-11-26-30/h3-4,6-7,9,11-12,15-16,18,24H,5,8,10,13-14H2,1-2H3,(H,25,28,29)

SMILES Code: CC(C)C(C=NN12)=C1N=C(OC3CNCCC3)N=C2NCC4=CC=CC=C4N5N=CC=C5

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:

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Biological target:	LDC4297 is a selective inhibitor of CDK7 with an IC50 value of 0.13 nM.
In vitro activity:	This study provides first evidence for the antiviral potential of the CDK7 inhibitor LDC4297, i.e., in exerting a block of the replication of human cytomegalovirus (HCMV) in primary human fibroblasts at nanomolar concentrations (50% effective concentration, 24.5 ± 1.3 nM). As a unique feature compared to approved antiherpesviral drugs, inhibition occurred already at the immediate-early level of HCMV gene expression. Reference: Antimicrob Agents Chemother. 2015 Apr;59(4):2062-71. https://pubmed.ncbi.nlm.nih.gov/25624324/
In vivo activity:	This study presents first data for the in vivo efficacy of both experimental drugs (including LDC4297) using an established cytomegalovirus animal model (murine CMV replication in immunodefective Rag -/- mice). The main findings of this study are (i) a strong inhibitory potency against beta- and gamma-herpesviruses of both compounds in vitro, (ii) even more important, a pronounced anticytomegaloviral activity also exerted in vivo, that resulted from (iii) a restriction of viral replication to the site of infection, thus preventing organ dissemination, (iv) in the absence of major compound-associated adverse events. Reference: Antiviral Res. 2019 Jan;161:63-69. https://pubmed.ncbi.nlm.nih.gov/30452929/

Solubility Data

	Solvent	Max Conc. mg/mL	Max Conc. mM
Solubility
	DMF	20.0	46.24
	DMSO	40.0	92.48
	Ethanol	20.0	46.24

Preparing Stock Solutions

The following data is based on the product molecular weight 432.53 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. Kolloch L, Kreinest T, Meisterernst M, Oeckinghaus A. Control of Expression of Key Cell Cycle Enzymes Drives Cell Line-Specific Functions of CDK7 in Human PDAC Cells. Int J Mol Sci. 2022 Jan 12;23(2):812. doi: 10.3390/ijms23020812. PMID: 35054996; PMCID: PMC8775745. 2. Hutterer C, Eickhoff J, Milbradt J, Korn K, Zeitträger I, Bahsi H, Wagner S, Zischinsky G, Wolf A, Degenhart C, Unger A, Baumann M, Klebl B, Marschall M. A novel CDK7 inhibitor of the Pyrazolotriazine class exerts broad-spectrum antiviral activity at nanomolar concentrations. Antimicrob Agents Chemother. 2015 Apr;59(4):2062-71. doi: 10.1128/AAC.04534-14. Epub 2015 Jan 26. PMID: 25624324; PMCID: PMC4356785. 3. Sonntag E, Hahn F, Bertzbach LD, Seyler L, Wangen C, Müller R, Tannig P, Grau B, Baumann M, Zent E, Zischinsky G, Eickhoff J, Kaufer BB, Bäuerle T, Tsogoeva SB, Marschall M. In vivo proof-of-concept for two experimental antiviral drugs, both directed to cellular targets, using a murine cytomegalovirus model. Antiviral Res. 2019 Jan;161:63-69. doi: 10.1016/j.antiviral.2018.11.008. Epub 2018 Nov 17. PMID: 30452929. 4. Kelso TW, Baumgart K, Eickhoff J, Albert T, Antrecht C, Lemcke S, Klebl B, Meisterernst M. Cyclin-dependent kinase 7 controls mRNA synthesis by affecting stability of preinitiation complexes, leading to altered gene expression, cell cycle progression, and survival of tumor cells. Mol Cell Biol. 2014 Oct 1;34(19):3675-88. doi: 10.1128/MCB.00595-14. Epub 2014 Jul 21. PMID: 25047832; PMCID: PMC4187722.
In vitro protocol:	1. Kolloch L, Kreinest T, Meisterernst M, Oeckinghaus A. Control of Expression of Key Cell Cycle Enzymes Drives Cell Line-Specific Functions of CDK7 in Human PDAC Cells. Int J Mol Sci. 2022 Jan 12;23(2):812. doi: 10.3390/ijms23020812. PMID: 35054996; PMCID: PMC8775745. 2. Hutterer C, Eickhoff J, Milbradt J, Korn K, Zeitträger I, Bahsi H, Wagner S, Zischinsky G, Wolf A, Degenhart C, Unger A, Baumann M, Klebl B, Marschall M. A novel CDK7 inhibitor of the Pyrazolotriazine class exerts broad-spectrum antiviral activity at nanomolar concentrations. Antimicrob Agents Chemother. 2015 Apr;59(4):2062-71. doi: 10.1128/AAC.04534-14. Epub 2015 Jan 26. PMID: 25624324; PMCID: PMC4356785.
In vivo protocol:	1. Sonntag E, Hahn F, Bertzbach LD, Seyler L, Wangen C, Müller R, Tannig P, Grau B, Baumann M, Zent E, Zischinsky G, Eickhoff J, Kaufer BB, Bäuerle T, Tsogoeva SB, Marschall M. In vivo proof-of-concept for two experimental antiviral drugs, both directed to cellular targets, using a murine cytomegalovirus model. Antiviral Res. 2019 Jan;161:63-69. doi: 10.1016/j.antiviral.2018.11.008. Epub 2018 Nov 17. PMID: 30452929. 2. Kelso TW, Baumgart K, Eickhoff J, Albert T, Antrecht C, Lemcke S, Klebl B, Meisterernst M. Cyclin-dependent kinase 7 controls mRNA synthesis by affecting stability of preinitiation complexes, leading to altered gene expression, cell cycle progression, and survival of tumor cells. Mol Cell Biol. 2014 Oct 1;34(19):3675-88. doi: 10.1128/MCB.00595-14. Epub 2014 Jul 21. PMID: 25047832; PMCID: PMC4187722.

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1: Hutterer C, Eickhoff J, Milbradt J, Korn K, Zeitträger I, Bahsi H, Wagner S,
Zischinsky G, Wolf A, Degenhart C, Unger A, Baumann M, Klebl B, Marschall M. A
novel CDK7 inhibitor of the Pyrazolotriazine class exerts broad-spectrum
antiviral activity at nanomolar concentrations. Antimicrob Agents Chemother. 2015
Apr;59(4):2062-71. doi: 10.1128/AAC.04534-14. Epub 2015 Jan 26. PubMed PMID:
25624324; PubMed Central PMCID: PMC4356785.

2: Kelso TW, Baumgart K, Eickhoff J, Albert T, Antrecht C, Lemcke S, Klebl B,
Meisterernst M. Cyclin-dependent kinase 7 controls mRNA synthesis by affecting
stability of preinitiation complexes, leading to altered gene expression, cell
cycle progression, and survival of tumor cells. Mol Cell Biol. 2014 Oct
1;34(19):3675-88. doi: 10.1128/MCB.00595-14. Epub 2014 Jul 21. PubMed PMID:
25047832; PubMed Central PMCID: PMC4187722.

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LDC4297 featured