MedKoo Cat#: 555912 | Name: DTHIB
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Description:

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

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

DTHIB
DTHIB
CAS#897326-30-6

Theoretical Analysis

MedKoo Cat#: 555912

Name: DTHIB

CAS#: 897326-30-6

Chemical Formula: C13H9ClFN3O3

Exact Mass: 309.0316

Molecular Weight: 309.68

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 450.00 2 Weeks
100mg USD 750.00 2 Weeks
200mg USD 1,250.00 2 Weeks
500mg USD 2,450.00 2 Weeks
1g USD 3,250.00 2 Weeks
2g USD 5,450.00 2 Weeks
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Related CAS #
No Data
Synonym
DTHIB; NSC794587; NSC 794587; NSC-794587
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
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/
Solvent mg/mL mM
Solubility
DMSO 93.0 300.31
Ethanol 17.0 54.90
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 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.
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.