KD-5170 | CAS# 940943-37-3 | histone deacetylase inhibitor

MedKoo Cat#: 414221 | Name: KD-5170

Featured

Description:

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

KD-5170 is a histone deacetylase inhibitor.

Chemical Structure

KD-5170

CAS#940943-37-3

Theoretical Analysis

MedKoo Cat#: 414221

Name: KD-5170

CAS#: 940943-37-3

Chemical Formula: C20H25N3O5S2

Exact Mass: 451.1236

Molecular Weight: 451.56

Elemental Analysis: C, 53.20; H, 5.58; N, 9.31; O, 17.72; S, 14.20

Price and Availability

Size	Price	Availability	Quantity
10mg	USD 585.00	2 Weeks

Bulk Inquiry

Buy Now

Add to Cart

Related CAS #

No Data

Synonym

KD-5170; KD5170; KD 5170

IUPAC/Chemical Name

Ethanethioic acid, S-(2-(6-(((4-(3-(dimethylamino)propoxy)phenyl)sulfonyl)amino)-3-pyridinyl)-2-oxoethyl) ester

InChi Key

KXWBUKMWZKTHCV-UHFFFAOYSA-N

InChi Code

InChI=1S/C20H25N3O5S2/c1-15(24)29-14-19(25)16-5-10-20(21-13-16)22-30(26,27)18-8-6-17(7-9-18)28-12-4-11-23(2)3/h5-10,13H,4,11-12,14H2,1-3H3,(H,21,22)

SMILES Code

CC(SCC(C1=CC=C(NS(=O)(C2=CC=C(OCCCN(C)C)C=C2)=O)N=C1)=O)=O

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

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

Product Data

Product Data

Instruction

View handling instruction

Biological target:

An inhibitor of class I and II HDACs.

In vitro activity:

The lead compound, KD5170, exhibits HDAC inhibitory activity with an IC50 of 0.045 micromol/L in the screening biochemical assay and an EC50 of 0.025 micromol/L in HeLa cell-based assays that monitor histone H3 acetylation. KD5170 also exhibits broad spectrum classes I and II HDAC inhibition in assays using purified recombinant human isoforms. KD5170 shows significant antiproliferative activity against a variety of human tumor cell lines, including the NCI-60 panel. Reference: Mol Cancer Ther. 2008 May;7(5):1054-65. https://pubmed.ncbi.nlm.nih.gov/18483295/

In vivo activity:

Growth of myeloma tumor xenografts in KD5170-treated nude mice was significantly inhibited and survival was prolonged. Histone acetylation was increased in spleen and tumor tissues of animals treated with KD5170. Reference: Mol Cancer Ther. 2008 Jun;7(6):1494-505. https://pubmed.ncbi.nlm.nih.gov/18566220/

	Solvent	mg/mL	mM
Solubility
	DMF	1.0	2.21
	DMSO	1.0	2.21
	DMSO:PBS (pH 7.2) (1:1)	0.5	1.11

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 451.56 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. Feng R, Ma H, Hassig CA, Payne JE, Smith ND, Mapara MY, Hager JH, Lentzsch S. KD5170, a novel mercaptoketone-based histone deacetylase inhibitor, exerts antimyeloma effects by DNA damage and mitochondrial signaling. Mol Cancer Ther. 2008 Jun;7(6):1494-505. doi: 10.1158/1535-7163.MCT-08-0183. PMID: 18566220. 2. Hassig CA, Symons KT, Guo X, Nguyen PM, Annable T, Wash PL, Payne JE, Jenkins DA, Bonnefous C, Trotter C, Wang Y, Anzola JV, Milkova EL, Hoffman TZ, Dozier SJ, Wiley BM, Saven A, Malecha JW, Davis RL, Muhammad J, Shiau AK, Noble SA, Rao TS, Smith ND, Hager JH. KD5170, a novel mercaptoketone-based histone deacetylase inhibitor that exhibits broad spectrum antitumor activity in vitro and in vivo. Mol Cancer Ther. 2008 May;7(5):1054-65. doi: 10.1158/1535-7163.MCT-07-2347. PMID: 18483295. 3. Payne JE, Bonnefous C, Hassig CA, Symons KT, Guo X, Nguyen PM, Annable T, Wash PL, Hoffman TZ, Rao TS, Shiau AK, Malecha JW, Noble SA, Hager JH, Smith ND. Identification of KD5170: a novel mercaptoketone-based histone deacetylase inhibitor. Bioorg Med Chem Lett. 2008 Dec 1;18(23):6093-6. doi: 10.1016/j.bmcl.2008.10.029. Epub 2008 Oct 11. PMID: 18954983. 4. Feng R, Ma H, Hassig CA, Payne JE, Smith ND, Mapara MY, Hager JH, Lentzsch S. KD5170, a novel mercaptoketone-based histone deacetylase inhibitor, exerts antimyeloma effects by DNA damage and mitochondrial signaling. Mol Cancer Ther. 2008 Jun;7(6):1494-505. doi: 10.1158/1535-7163.MCT-08-0183. PMID: 18566220.

In vitro protocol:

In vivo protocol:

1. Payne JE, Bonnefous C, Hassig CA, Symons KT, Guo X, Nguyen PM, Annable T, Wash PL, Hoffman TZ, Rao TS, Shiau AK, Malecha JW, Noble SA, Hager JH, Smith ND. Identification of KD5170: a novel mercaptoketone-based histone deacetylase inhibitor. Bioorg Med Chem Lett. 2008 Dec 1;18(23):6093-6. doi: 10.1016/j.bmcl.2008.10.029. Epub 2008 Oct 11. PMID: 18954983. 2. Feng R, Ma H, Hassig CA, Payne JE, Smith ND, Mapara MY, Hager JH, Lentzsch S. KD5170, a novel mercaptoketone-based histone deacetylase inhibitor, exerts antimyeloma effects by DNA damage and mitochondrial signaling. Mol Cancer Ther. 2008 Jun;7(6):1494-505. doi: 10.1158/1535-7163.MCT-08-0183. PMID: 18566220.

1: Ishigami-Yuasa M, Ekimoto H, Kagechika H. Class IIb HDAC Inhibition Enhances the Inhibitory Effect of Am80, a Synthetic Retinoid, in Prostate Cancer. Biol Pharm Bull. 2019;42(3):448-452. doi: 10.1248/bpb.b18-00782. PMID: 30828077. 2: Feng R, Ma H, Hassig CA, Payne JE, Smith ND, Mapara MY, Hager JH, Lentzsch S. KD5170, a novel mercaptoketone-based histone deacetylase inhibitor, exerts antimyeloma effects by DNA damage and mitochondrial signaling. Mol Cancer Ther. 2008 Jun;7(6):1494-505. doi: 10.1158/1535-7163.MCT-08-0183. PMID: 18566220. 3: Hassig CA, Symons KT, Guo X, Nguyen PM, Annable T, Wash PL, Payne JE, Jenkins DA, Bonnefous C, Trotter C, Wang Y, Anzola JV, Milkova EL, Hoffman TZ, Dozier SJ, Wiley BM, Saven A, Malecha JW, Davis RL, Muhammad J, Shiau AK, Noble SA, Rao TS, Smith ND, Hager JH. KD5170, a novel mercaptoketone-based histone deacetylase inhibitor that exhibits broad spectrum antitumor activity in vitro and in vivo. Mol Cancer Ther. 2008 May;7(5):1054-65. doi: 10.1158/1535-7163.MCT-07-2347. PMID: 18483295. 4: Payne JE, Bonnefous C, Hassig CA, Symons KT, Guo X, Nguyen PM, Annable T, Wash PL, Hoffman TZ, Rao TS, Shiau AK, Malecha JW, Noble SA, Hager JH, Smith ND. Identification of KD5170: a novel mercaptoketone-based histone deacetylase inhibitor. Bioorg Med Chem Lett. 2008 Dec 1;18(23):6093-6. doi: 10.1016/j.bmcl.2008.10.029. Epub 2008 Oct 11. PMID: 18954983.