3-Aminopropionitrile fumarate salt - ≥98% , CAS No.2079-89-2

CAS: 2079-89-2 Cat. No.: A100862 Molecular Weight: 256.26 Beilstein Registry Number: 3573532 EC Number: 218-208-7 PubChem CID: 5462653

GRADE & PURITY ≥98%

Synonyms

A 3134 | Di-b-aminopropionitrile fumarate | LP00055 | CAS-2079-89-2 | Propionitrile, 3-amino-, fumarate | beta-aminopropionitrile hemifumarate | DTXCID801476014 | FUMARIC ACID, SALT WITH 3-AMINOPROPIONITRILE | 1O0893POYK | BAPN fumarate | 2-cyanoethylamin

Storage

Room temperature

Shipped In

Normal

Overview

3-Aminopropionitrile fumarate salt is a useful biochemical for proteomics research.
A useful biochemical for proteomics research

Specifications

Synonyms

A 3134 | Di-b-aminopropionitrile fumarate | LP00055 | CAS-2079-89-2 | Propionitrile, 3-amino-, fumarate | beta-aminopropionitrile hemifumarate | DTXCID801476014 | FUMARIC ACID, SALT WITH 3-AMINOPROPIONITRILE | 1O0893POYK | BAPN fumarate | 2-cyanoethylamin

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

3-Aminopropionitrile (β-Aminopropionitrile (BAPN)) functions as an irreversible inhibitor of lysyl oxidase (LOX), an enzyme involved in collagen cross-linking.

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488195559
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488195559
• Canonical Smiles: C(CN)C#N.C(CN)C#N.C(=CC(=O)O)C(=O)O
• IUPAC Name: 3-aminopropanenitrile;(E)-but-2-enedioic acid
• InChIKey: NYMXYZMHOZAPHQ-SEPHDYHBSA-N
• INCHI: 1S/C4H4O4.2C3H6N2/c5-3(6)1-2-4(7)8;2*4-2-1-3-5/h1-2H,(H,5,6)(H,7,8);2*1-2,4H2/b2-1+
• Isomeric SMILES: C(CN)C#N.C(CN)C#N.C(=C/C(=O)O)\C(=O)O
• WGK Germany: 3
• RTECS: UG0700000
• PubChem CID: 5462653
• Molecular Weight: 256.26
• Beilstein: 3573532
• Reaxy-Rn: 3573532

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Dicarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Dicarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Dicarboxylic acids and derivatives
• Alternative Parents: Unsaturated fatty acids Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Not available
• Substituents: Fatty acyl - Fatty acid - Unsaturated fatty acid - Dicarboxylic acid or derivatives - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(non-human)

ffp 4'-phosphopantetheinyl transferase ffp (24982 Activities)

Discover Target: ffp

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in water
• Melt Point(°C): 177°C
• Molecular Weight: 256.260 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 4
• Exact Mass: 256.117 Da
• Monoisotopic Mass: 256.117 Da
• Topological Polar Surface Area: 174.000 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 168.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 3

XLogP3

References

1. Yang Ming, Xiaonan Zhou, Gang Liu, Mieradilijiang Abudupataer, Shichao Zhu, Bitao Xiang, Xiujie Yin, Hao Lai, Yongxin Sun, Chunsheng Wang, Jun Li, Kai Zhu.  (2022)  PM2.5 exposure exacerbates mice thoracic aortic aneurysm and dissection by inducing smooth muscle cell apoptosis via the MAPK pathway.  CHEMOSPHERE,      [PMID:36495979] [10.1016/j.chemosphere.2022.137500]

2. Yu Shi, Yi Zhao, Si-Jia Sun, Xiu-Ting Lan, Wen-Bin Wu, Zhen Zhang, Yu-Xin Chen, Yu-Ying Yan, Yu-Ping Xu, Dong-Jie Li, Hui Fu, Fu-Ming Shen.  (2025)  Targeting GPX4 alleviates ferroptosis and retards abdominal aortic aneurysm formation.  BIOCHEMICAL PHARMACOLOGY,      [PMID:39952331] [10.1016/j.bcp.2025.116800]

3. Yao Wang, Jinjin Zhang, Yunsong Wang, Feng Wu, Baoshen Song, Jiatian Li, Qiuyue Lin, Yunpeng Xie, Yunlong Xia, Xiangbo An, Jiawei Liao.  (2024)  Ubiquitin-like modifier-activating enzyme 1 as a potential therapeutic target for aortic dissection.  INTERNATIONAL IMMUNOPHARMACOLOGY,      [PMID:39637577] [10.1016/j.intimp.2024.113742]

4. Longwu Xu, Lin Ma, Xiufeng Xu, Yifan Wang, Qiuhong Jiao, Shulan Pang, Yuying Wang, Weiwei Yang, Shuai Mao, Yudan Zhao, Jie Hao, Tao Huang, Peikang Dong, Yingshuai Wang, Tao Wang.  (2025)  Oral Acid-Activated Hydrogen-Producing Nanoparticles Reduce Aortic Dissection Progression via RhoA/ROCK Inhibition in Mice.  ACS Applied Materials & Interfaces,      [PMID:40361256] [10.1021/acsami.5c02379]

5. Yaqi Pu, Tianxin Li, Zihe Zhao, Qian Xu, Yi Jin, Huan Dou, Zhao Liu.  (2026)  Senkyunolide I inhibits abdominal aortic aneurysm via PARP-1-targeted restraint of large peritoneal macrophage migration.  INTERNATIONAL IMMUNOPHARMACOLOGY,      [PMID:41785605] [10.1016/j.intimp.2026.116433]

6. Banglong Wang, Zhe Meng, Jiatian Li, Feng Wu, Baoshen Song, Wei Huang, Jiawei Liao.  (2026)  Hypertriglyceridemia Does Not Worsen Thoracic Aortic Aneurysm and Dissection in GPIHBP1 Knockout Mice.  ARTERIOSCLEROSIS THROMBOSIS AND VASCULAR BIOLOGY,      [PMID:41853866] [10.1161/ATVBAHA.126.324300]