| SKU | Size | Availability | Price | Qty |
|---|---|---|---|---|
| P276043-1g | 1g | Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding. | $59.90 | |
| P276043-5g | 5g | Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding. | $199.90 | |
| P276043-10g | 10g | Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding. | $365.90 |
Phase II detoxifying enzymes inducer
| Synonyms | 3-isothiocyanatopropylbenzene | isothiocyanic acid 3-phenylpropyl ester | R-(-)-Baclofen | Phenylpropyl isothiocyanate | BDBM50073716 | (3-Isothiocyanatopropyl)benzene | (3-isothiocyanatopropyl)-Benzene | 1-Isothiocyanato-3-phenylpropane | CHEBI:173819 | |
|---|---|
| Specifications & Purity | ≥98% |
| Biochemical and Physiological Mechanisms | Phase II detoxifying enzymes inducer. Shows more potent chemopreventive effects in vivo than related compound 4-phenylbutyl isothiocyanate ( Asc 2931 ) correlated to their effects on DNA adduct formation. |
| Source | Synthetic |
| Storage Temp | Store at 2-8°C |
| Shipped In | Wet ice |
| Note | Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details. |
| Product Description | 3-Phenylpropyl isothiocyanate has a stronger inhibitory effect on N-nitrosomethyl-benzylamine (NMBA) tumorigenesis. 3-Phenylpropyl isothiocyanate has chemopreventive effects |
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| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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| IUPAC Name | 3-isothiocyanatopropylbenzene |
|---|---|
| INCHI | InChI=1S/C10H11NS/c12-9-11-8-4-7-10-5-2-1-3-6-10/h1-3,5-6H,4,7-8H2 |
| InChi Key | GRUOGLPIAPZLHJ-UHFFFAOYSA-N |
| Canonical SMILES | C1=CC=C(C=C1)CCCN=C=S |
| Isomeric SMILES | C1=CC=C(C=C1)CCCN=C=S |
| Molecular Weight | 177.27 |
Find and download the COA for your product by matching the lot number on the packaging.
4 results found
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 C2510286 | Certificate of Analysis | Feb 27, 2025 | P276043 |
| C2510287 | Certificate of Analysis | Feb 27, 2025 | P276043 |
| C2510288 | Certificate of Analysis | Feb 27, 2025 | P276043 |
| C2510289 | Certificate of Analysis | Feb 27, 2025 | P276043 |
| Solubility | Soluble in water (hydrolyzes), and DMSO. |
|---|---|
| Sensitivity | Moisture sensitive |
| Refractive Index | n20D 1.58 |
| Boil Point(°C) | 156-160°/12mm |
| Melt Point(°C) | 49.58° C (Predicted) |
| Molecular Weight | 177.270 g/mol |
| XLogP3 | 3.900 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 4 |
| Exact Mass | 177.061 Da |
| Monoisotopic Mass | 177.061 Da |
| Topological Polar Surface Area | 44.500 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 155.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
| Pictogram(s) | GHS05, GHS07 |
|---|---|
| Signal | Danger |
| Hazard Statements | H315:Causes skin irritation H319:Causes serious eye irritation H335:May cause respiratory irritation H314:Causes severe skin burns and eye damage H302:Harmful if swallowed H312:Harmful in contact with skin H332:Harmful if inhaled |
| Precautionary Statements | P261:Avoid breathing dust/fume/gas/mist/vapors/spray. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present and easy to do - continue rinsing. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of water. P321:Specific treatment (see ... on this label). P405:Store locked up. P501:Dispose of contents/container to ... P264:Wash hands [and …] thoroughly after handling. P260:Do not breathe dust/fume/gas/mist/vapors/spray. P271:Use only outdoors or in a well-ventilated area. P270:Do not eat, drink or smoke when using this product. P301+P330+P331:IF SWALLOWED: Rinse mouth. Do NOT induce vomiting. P304+P340:IF INHALED: Remove person to fresh air and keep comfortable for breathing. P363:Wash contaminated clothing before reuse. P403+P233:Store in a well-ventilated place. Keep container tightly closed. P362+P364:Take off contaminated clothing and wash it before reuse. P330:Rinse mouth. P264+P265:Wash hands [and …] thoroughly after handling. Do not touch eyes. P301+P317:IF SWALLOWED: Get medical help. P305+P354+P338:IF IN EYES: Immediately rinse with water for several minutes. Remove contact lenses if present and easy to do. Continue rinsing. P317:Get emergency medical help. P337+P317:If eye irritation persists: Get medical help. P332+P317:If skin irritation occurs: Get medical help. P302+P361+P354:IF ON SKIN: Take off Immediately all contaminated clothing. Immediately rinse with water for several minutes. P316:Get emergency medical help immediately. P319:Get medical help if you feel unwell. |
