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MedKoo Cat#: 414221 | Name: KD-5170
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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
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
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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.

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
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:
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.
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.