3085-98-1

Basic information

• Product Name: 3-(Bis(2-chloroethyl)amino)benzoic acid
• Synonyms: 3-(Bis(2-chloroethyl)amino)benzoic acid;m-[Bis(2-chloroethyl)amino]benzoic acid
• CAS NO: 3085-98-1
• Molecular Formula: C₁₁H₁₃Cl₂NO₂
• Molecular Weight: 262.13
• Mol File: 3085-98-1.mol
• Article Data: 2

Chemical Properties

• Melting Point: 177-178 °C(Solv: benzene (71-43-2))
• Boiling Point: 433.3°C at 760 mmHg
• Flash Point: 215.9°C
• Appearance: /
• Density: 1.339g/cm³
• Vapor Pressure: 2.81E-08mmHg at 25°C
• Refractive Index: 1.594
• PKA: 4.48±0.50(Predicted)
• CAS DataBase Reference: 3-(Bis(2-chloroethyl)amino)benzoic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 3-(Bis(2-chloroethyl)amino)benzoic acid(3085-98-1)
• EPA Substance Registry System: 3-(Bis(2-chloroethyl)amino)benzoic acid(3085-98-1)

Safety Data

• Hazardous Substances Data: 3085-98-1(Hazardous Substances Data)

Usage

InChI:InChI=1/C11H13Cl2NO2/c12-4-6-14(7-5-13)10-3-1-2-9(8-10)11(15)16/h1-3,8H,4-7H2,(H,15,16)

Upstream product

• 24830-50-0 3-[bis-(2-chloro-ethyl)-amino]-benzoic acid methyl ester 
• 4518-10-9 Methyl 3-aminobenzoate 
• 121-92-6 3-nitrobenzoic acid 
• 23730-39-4 C₁₃H₁₉NO₄ 
• 582-33-2 3-aminobenzoic acid ethyl ester 
• 618-98-4 ethyl 3-nitrobenzoate 

Downstream Products

• 24813-11-4 3-N,N-bis(2-chloroethyl)aminobenzoyl chloride 
• 99646-87-4 3-[Bis-(2-chloro-ethyl)-amino]-benzoic acid (3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-oxo-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl ester 
• 1026640-26-5 C₂₂H₂₄Cl₄N₂O₃ 
• 157757-70-5 3β-hydroxy-13α-amino-13,17-seco-5-androsten-17-oic-13,17-lactam m-N,N-bis(2-chloroethyl)aminobenzoate 
• 157757-67-0 3α-hydroxy-13α-amino-13,17-seco-5α-androstan-17-oic-13,17-lactam m-N,N-bis(2-chloroethyl)aminobenzoate 
• 157757-67-0 3β-hydroxy-13α-amino-13,17-seco-5α-androstan-17-oic-13,17-lactam m-N,N-bis(2-chloroethyl)aminobenzoate 
• 24813-07-8 m-N-(Dichloraethylamino)-benzoesaeureamid 
• 4251-81-4 N-{3-[bis-(2-chloro-ethyl)-amino]-benzoyl}-glycine ethyl ester 

Relevant articles and documents

Improving the Potency of Cancer Immunotherapy by Dual Targeting of IDO1 and DNA

Herein we report the first exploration of a dual-targeting drug design strategy to improve the efficacy of small-molecule cancer immunotherapy. New hybrids of indoleamine 2,3-dioxygenase 1 (IDO1) inhibitors and DNA alkylating nitrogen mustards that respectively target IDO1 and DNA were rationally designed. As the first-in-class examples of such molecules, they were found to exhibit significantly enhanced anticancer activity in vitro and in vivo with low toxicity. This proof-of-concept study has established a critical step toward the development of a novel and effective immunotherapy for the treatment of cancers.