6929-40-4

Basic information

• Product Name: B-PABA
• Synonyms: B-PABA;N-(+)-BIOTINYL-4-AMINOBENZOIC ACID;Benzoic acid, 4-((5-(hexahydro-2-oxo-1H-thieno(3,4-D)imidazol-4-yl)-1-oxopentyl)amino)-, ion(1-)-;Biot-pab;N-(+)-Biotinyl-4-AMinobnzoic Acid;4-(5-((4S)-2-oxohexahydro-1H-thieno[3,4-d]iMidazol-4-yl)pentanaMido)benzoic acid
• CAS NO: 6929-40-4
• Molecular Formula: C₁₇H₂₁N₃O₄S
• Molecular Weight: 363.43
• Mol File: 6929-40-4.mol
• Article Data: 4

Chemical Properties

• Melting Point: 295-297 °C
• Boiling Point: 750.5°C at 760 mmHg
• Flash Point: 407.7°C
• Appearance: /
• Density: 1.338g/cm³
• Vapor Pressure: 1.16E-23mmHg at 25°C
• Refractive Index: 1.62
• Storage Temp.: 2-8°C
• PKA: 4.32±0.10(Predicted)
• BRN: 50100
• CAS DataBase Reference: B-PABA(CAS DataBase Reference)
• NIST Chemistry Reference: B-PABA(6929-40-4)
• EPA Substance Registry System: B-PABA(6929-40-4)

Safety Data

• Safety Statements: 22-24/25
• WGK Germany: 3
• F: 10
• Hazardous Substances Data: 6929-40-4(Hazardous Substances Data)

Usage

Purification Methods

Dissolve the acid in NaHCO3 solution, cool and precipitate it by adding N HCl. Collect the solid, dry it at 100o and recrystallise it from MeOH. Note that it is hydrolysed by aqueous 3M, 1M and 0.2M HCl at 120o

InChI:InChI=1/C17H21N3O4S/c21-14(18-11-7-5-10(6-8-11)16(22)23)4-2-1-3-13-15-12(9-25-13)19-17(24)20-15/h5-8,12-13,15H,1-4,9H2,(H,18,21)(H,22,23)(H2,19,20,24)/t12-,13-,15-/m0/s1

Upstream product

• 91853-90-6 biotin chloride 
• 150-13-0 4-amino-benzoic acid 
• 58-85-5 biotin 
• 35013-72-0 biotin N-Hydroxysuccinimide ester 

Downstream Products

• 952705-45-2 4-[5-(2-oxo-hexahydro-thieno[3,4-d]imidazol-6-yl)-pentanoylamino]-benzoic acid 2,5-dioxo-pyrrolidin-1-yl ester 

Relevant articles and documents

Synthesis and in?vitro anticancer activities of biotinylated derivatives of glaucocalyxin A and oridonin

Fourteen glaucocalyxin A biotinylated derivatives, one glaucocalyxin C biotinylated derivative, and two oridonin biotinylated derivatives were designed and synthesized. Their structures were confirmed from 1H NMR, 13C NMR and HRMS data. The derivatives were evaluated for cytotoxic activities against lung (A549), cervical cancer cell line HeLa derivative (KB), multidrug-resistant KB subline (KB-VIN), triple-negative breast (MDA-MB-231), and estrogen receptor-positive breast (MCF-7) cancer cell lines. (Figure presented.).

Synthesis of chemiluminescent biotinyl naphtho[1,8-de][1,2]diazepine-1,4- diones

A new chemiluminescent seven numbered cyclic peri hydrazide, 6-amino-2,3-dihydronaphtho[1,8-de][1,2]diazepine-1,4-dione (AH, 4), and five of its biotin conjugates with various spacer groups are synthesized. The total framework of the chemiluminescent biot