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.
MedKoo Cat#: 555912
Name: DTHIB
CAS#: 897326-30-6
Chemical Formula: C13H9ClFN3O3
Exact Mass: 309.0316
Molecular Weight: 309.6814
Elemental Analysis: C, 50.42; H, 2.93; Cl, 11.45; F, 6.13; N, 13.57; O, 15.50
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
| 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 | Max Conc. mg/mL | Max Conc. mM | |
|---|---|---|---|
| Solubility | |||
| DMSO | 93.0 | 300.31 | |
| Ethanol | 17.0 | 54.9 |
The following data is based on the product molecular weight 309.6814 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. 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.
