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

MedKoo CAT#: 555912

CAS#: 897326-30-6

Description: DTHIB is a direct and selective heat shock factor 1 (HSF1) inhibitor with a Kd of 160 nM. DTHIB physically engages HSF1 and selectively stimulates degradation of nuclear HSF1. DTHIB robustly inhibited the HSF1 cancer gene signature and prostate cancer cell proliferation. In addition, it potently attenuated tumor progression in four therapy-resistant prostate cancer animal models, including an NEPC model, where it caused profound tumor regression.

Chemical Structure

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DTHIB
CAS# 897326-30-6
Product data Instruction

Theoretical Analysis

MedKoo Cat#: 555912
Name: DTHIB
CAS#: 897326-30-6
Chemical Formula: C13H9ClFN3O3
Exact Mass: 309.03
Molecular Weight: 309.681
Elemental Analysis: C, 50.42; H, 2.93; Cl, 11.45; F, 6.13; N, 13.57; O, 15.50

Price and Availability

Size Price Availability Quantity
50mg USD 450 2 Weeks
100mg USD 750 2 Weeks
200mg USD 1250 2 Weeks
500mg USD 2450 2 Weeks
1g USD 3250 2 Weeks
2g USD 5450 2 Weeks
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Synonym: DTHIB

IUPAC/Chemical Name: 1-(4-chloro-3-nitrophenyl)-3-(4-fluorophenyl)urea

InChi Key: DWVIOMKFHSRQQM-UHFFFAOYSA-N

InChi Code: InChI=1S/C13H9ClFN3O3/c14-11-6-5-10(7-12(11)18(20)21)17-13(19)16-9-3-1-8(15)2-4-9/h1-7H,(H2,16,17,19)

SMILES Code: O=C(NC1=CC=C(F)C=C1)NC2=CC=C(Cl)C([N+]([O-])=O)=C2

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: DTHIB is a direct and selective heat shock factor 1 (HSF1) inhibitor with a Kd of 160 nM for DTHIB binding to the HSF1 DNA binding domain (DBD).
In vitro activity: DTHIB robustly inhibited the HSF1 cancer gene signature and prostate cancer cell proliferation. Reference: Sci Transl Med. 2020 Dec 16;12(574):eabb5647. https://pubmed.ncbi.nlm.nih.gov/33328331/
In vivo activity: In addition, it (DTHIB) potently attenuated tumor progression in four therapy-resistant prostate cancer animal models, including an NEPC model, where it caused profound tumor regression. Reference: Sci Transl Med. 2020 Dec 16;12(574):eabb5647. https://pubmed.ncbi.nlm.nih.gov/33328331/

Solubility Data

Solvent Max Conc. mg/mL Max Conc. mM
Solubility
DMSO 93.0 300.31
Ethanol 17.0 54.90

Preparing Stock Solutions

The following data is based on the product molecular weight 309.68 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. Dong B, Jaeger AM, Hughes PF, Loiselle DR, Hauck JS, Fu Y, Haystead TA, Huang J, Thiele DJ. Targeting therapy-resistant prostate cancer via a direct inhibitor of the human heat shock transcription factor 1. Sci Transl Med. 2020 Dec 16;12(574):eabb5647. doi: 10.1126/scitranslmed.abb5647. PMID: 33328331.
In vitro protocol: 1. Dong B, Jaeger AM, Hughes PF, Loiselle DR, Hauck JS, Fu Y, Haystead TA, Huang J, Thiele DJ. Targeting therapy-resistant prostate cancer via a direct inhibitor of the human heat shock transcription factor 1. Sci Transl Med. 2020 Dec 16;12(574):eabb5647. doi: 10.1126/scitranslmed.abb5647. PMID: 33328331.
In vivo protocol: 1. Dong B, Jaeger AM, Hughes PF, Loiselle DR, Hauck JS, Fu Y, Haystead TA, Huang J, Thiele DJ. Targeting therapy-resistant prostate cancer via a direct inhibitor of the human heat shock transcription factor 1. Sci Transl Med. 2020 Dec 16;12(574):eabb5647. doi: 10.1126/scitranslmed.abb5647. PMID: 33328331.

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Dong B, Jaeger AM, Hughes PF, Loiselle DR, Hauck JS, Fu Y, Haystead TA, Huang J, Thiele DJ. Targeting therapy-resistant prostate cancer via a direct inhibitor of the human heat shock transcription factor 1. Sci Transl Med. 2020 Dec 16;12(574):eabb5647. doi: 10.1126/scitranslmed.abb5647. PMID: 33328331.