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3-Phenylpropyl isothiocyanate - ≥98%, high purity , CAS No.2627-27-2

  • ≥98%
Item Number
P276043
Grouped product items
SKUSizeAvailabilityPrice Qty
P276043-5g
5g
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$96.90
P276043-10g
10g
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$174.90
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Phase II detoxifying enzymes inducer

Basic Description

Synonyms3-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 MechanismsPhase 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. Orally active.
SourceSynthetic
Storage TempStore at 2-8°C
Shipped InWet ice
NoteWherever 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

Store at +4°C. The product can be stored for up to 12 months.

Associated Targets(Human)

MIF Tchem Macrophage migration inhibitory factor (0 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
GSTK1 Tchem Glutathione S-transferase kappa 1 (0 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
GSTM1 Tbio Glutathione S-transferase Mu 1 (0 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
TP53 Tchem Cellular tumor antigen p53 (0 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
GSTM1 Tbio Glutathione S-transferase Mu 1 (61 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MIF Tchem Macrophage migration inhibitory factor (979 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GSTK1 Tchem Glutathione S-transferase kappa 1 (56 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TP53 Tchem Cellular tumor antigen p53 (48468 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Mechanisms of Action

Mechanism of ActionAction Typetarget IDTarget NameTarget TypeTarget OrganismBinding Site NameReferences

Names and Identifiers

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
PubChem CID 75815
Molecular Weight 177.27

Certificates

Certificate of Analysis(COA)

Enter Lot Number to search for COA:

Chemical and Physical Properties

SolubilitySoluble in DMSO
Boil Point(°C)156-160°/12mm

Safety and Hazards(GHS)

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.

Related Documents

 SDS

 Specification Sheet

Solution Calculators

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