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PR-104 - 97%, high purity , CAS No.851627-62-8

    Grade & Purity:
  • ≥97%
In stock
Item Number
P649370
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SKU Size
Availability
Price Qty
P649370-5mg
5mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$480.90
P649370-10mg
10mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$800.90

Basic Description

Synonyms C14H20BrN4O12PS | V16D2ZT7DT | PR-104/104A | AKOS040755172 | A13988 | PR 104 | ((2-BROMOETHYL)-2,4-DINITRO-6-(((2-(PHOSPHONOOXY)ETHYL)AMINO)-CARBONYL)ANILINO)ETHYL METHANESULFONATE | CS-0006324 | Benzamide, 2-((2-bromoethyl)(2-((methylsulfonyl)oxy)ethyl)a
Specifications & Purity ≥97%
Biochemical and Physiological Mechanisms PR-104 is a selective hypoxia-activated DNA cross-linking agent and can be used for the research of multiple tumor xenograft models. PR-104, as a nitrogen mustard pre-proagent, is converted efficiently to the more lipophilic dinitrobenzamide mustards alco
Storage Temp Protected from light,Argon charged,Store at -80°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Product Description

PR-104 is a selective hypoxia-activated DNA cross-linking agent and can be used for the research of multiple tumor xenograft models. PR-104, as a nitrogen mustard pre-proagent, is converted efficiently to the more lipophilic dinitrobenzamide mustards alcohol PR-104A.

In Vitro

PR-104 (80 μM; 1 hour; SiHa cells) shows greater suppression of radiation-induced DNA single-strand breaks under hypoxic than aerobic conditions. PR-104 (100 μM; 1 hour; SiHa cells) results in phosphorylation of Ser139 of histone H2AX (gH2AX). PR-104 (0.266 mmol/kg; 18 h; SiHa cells) shows activity against hypoxic cells after irradiation. PR-104 varies in potency between cell lines, with the lowest IC 50 (0.51 μmol/L) in H460 cells and highest (7.3 μmol/L) in PC3 prostate cells. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

In Vivo

PR-104 (0.56 mmol/kg; i.v. or i.p.; 0~2 hours) makes the plasma area under the curve. PR-104 (0.23 mmol/kg; i.p.; 100 days) shows antitumor activity . MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: CD-1nu/nu mice Dosage: 0.56 mmol/kg (Pharmacokinetics Analysis) Administration: I.v. or i.p. Result: The plasma area under the curve. Animal Model: CD1-Foxn1nu mice Dosage: 0.23 mmol/kg Administration: I.p. Result: Showed antitumor activity.

Form:Solid

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Benzenoids
Class Benzene and substituted derivatives
Subclass Aniline and substituted anilines
Intermediate Tree Nodes Not available
Direct Parent Dinitroanilines
Alternative Parents Anthranilamides  2-aminobenzamides  Nitrobenzenes  Phosphoethanolamines  Nitroaromatic compounds  Dialkylarylamines  Benzoyl derivatives  Monoalkyl phosphates  Sulfonic acid esters  Organosulfonic acid esters  Vinylogous amides  Sulfonyls  Methanesulfonates  Secondary carboxylic acid amides  Amino acids and derivatives  Propargyl-type 1,3-dipolar organic compounds  Organic oxoazanium compounds  Organopnictogen compounds  Organooxygen compounds  Organobromides  Organic zwitterions  Organic oxides  Hydrocarbon derivatives  Alkyl bromides  
Molecular Framework Aromatic homomonocyclic compounds
Substituents Dinitroaniline - Anthranilamide - 2-aminobenzamide - Aminobenzoic acid or derivatives - Aminobenzamide - Nitrobenzene - Benzoic acid or derivatives - Benzamide - Nitroaromatic compound - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Phosphoethanolamine - Benzoyl - Monoalkyl phosphate - Alkyl phosphate - Organosulfonic acid ester - Sulfonic acid ester - Phosphoric acid ester - Organic phosphoric acid derivative - Vinylogous amide - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Methanesulfonate - Organic nitro compound - Tertiary amine - Secondary carboxylic acid amide - C-nitro compound - Carboxamide group - Amino acid or derivatives - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic zwitterion - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Amine - Alkyl halide - Alkyl bromide - Aromatic homomonocyclic compound
Description This compound belongs to the class of organic compounds known as dinitroanilines. These are organic compounds containing an aniline moiety, which is substituted at 2 positions by a nitro group.
External Descriptors Not available

Names and Identifiers

IUPAC Name 2-[N-(2-bromoethyl)-2,4-dinitro-6-(2-phosphonooxyethylcarbamoyl)anilino]ethyl methanesulfonate
INCHI InChI=1S/C14H20BrN4O12PS/c1-33(28,29)31-7-5-17(4-2-15)13-11(14(20)16-3-6-30-32(25,26)27)8-10(18(21)22)9-12(13)19(23)24/h8-9H,2-7H2,1H3,(H,16,20)(H2,25,26,27)
InChIKey GZSOKPMDWVRVMG-UHFFFAOYSA-N
Smiles CS(=O)(=O)OCCN(CCBr)C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)NCCOP(=O)(O)O
Isomeric SMILES CS(=O)(=O)OCCN(CCBr)C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)NCCOP(=O)(O)O
Alternate CAS 851627-62-8
PubChem CID 11455973
MeSH Entry Terms PR-104
Molecular Weight 579.27

Certificates(CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Chemical and Physical Properties

Solubility DMSO : 100 mg/mL (172.63 mM; Need ultrasonic) H2O : 31.25 mg/mL (53.95 mM; ultrasonic and warming and heat to 60°C)
Molecular Weight 579.300 g/mol
XLogP3 -0.600
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 13
Rotatable Bond Count 12
Exact Mass 577.972 Da
Monoisotopic Mass 577.972 Da
Topological Polar Surface Area 242.000 Ų
Heavy Atom Count 33
Formal Charge 0
Complexity 839.000
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

Solution Calculators

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