3-Aminopropionitrile（BAPN） - Moligand™, ≥98%, stabilized with 0.1%K2CO3 , CAS No.151-18-8

CAS: 151-18-8 Cat. No.: A107499 Peso molecular: 70.09 Beilstein Registry Number: 4(4)2530 Número EC: 205-786-0

GRADE & PURITY Moligand™, ≥98%, stabilized with 0.1%K2CO3

Synonyms

NSC40641 | NSC-40641 | SB75359 | A0408 | BAPN | Lopac-A-3134 | D77355 | b-Alaninenitrile | beta-Alaminenitrile | Lopac0_000055 | BETA-AMINOPROPIONITRILE | beta-amino-propionitrile | WLN: Z2CN | b-Cyanoethylamine | .beta.-Cyanoethylamine | 3-Aminopropionit

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

NSC40641 | NSC-40641 | SB75359 | A0408 | BAPN | Lopac-A-3134 | D77355 | b-Alaninenitrile | beta-Alaminenitrile | Lopac0_000055 | BETA-AMINOPROPIONITRILE | beta-amino-propionitrile | WLN: Z2CN | b-Cyanoethylamine | .beta.-Cyanoethylamine | 3-Aminopropionit

Especificaciones y pureza

Moligand™, ≥98%, stabilized with 0.1%K2CO3

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Grado

Moligand™

Tipo de acción

INHIBITOR

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: C(CN)C#N
• IUPAC Name: 3-aminopropanenitrile
• InChIKey: AGSPXMVUFBBBMO-UHFFFAOYSA-N
• INCHI: 1S/C3H6N2/c4-2-1-3-5/h1-2,4H2
• Isómeros SMILES: C(CN)C#N
• RTECS: UG0350000
• Peso molecular: 70.09
• Beilstein: 4(4)2530
• Reaxy-Rn: 1698848
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1698848&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Clase Organonitrogen compounds
      • Subclass Organic cyanides

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Clase: Organonitrogen compounds
• Subclass: Organic cyanides
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitriles
• Alternative Parents: Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Nitrile - Carbonitrile - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Primary aliphatic amine - Amine - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as nitriles. These are compounds having the structure RC#N; thus C-substituted derivatives of hydrocyanic acid, HC#N.
• External Descriptors: aminopropionitrile

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

Objetivos asociados (humanos)

LOXL2 Tchem Lysyl oxidase homolog 2 (12 Activities)

Discover Target: LOXL2

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

LOXL3 Tchem Lysyl oxidase homolog 3 (2 Activities)

Discover Target: LOXL3

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

LOX Tchem Protein-lysine 6-oxidase (2 Activities)

Discover Target: LOX

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

ARSA Tbio Cerebroside-sulfatase (655 Activities)

Discover Target: ARSA

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

LOX Tchem Lysyl oxidase (75 Activities)

Discover Target: LOX

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

CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)

Discover Target: CYP2D6

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

CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)

Discover Target: CYP1A2

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

CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)

Discover Target: CYP2C9

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

CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)

Discover Target: CYP2C19

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

CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

Discover Target: CYP3A4

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

HEK293 (82097 Activities)

Explore this target

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

EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)

Discover Target: EHMT2

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

ATAD5 Tbio ATPase family AAA domain-containing protein 5 (122566 Activities)

Discover Target: ATAD5

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

LOXL2 Tchem Lysyl oxidase homolog 2 (834 Activities)

Discover Target: LOXL2

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

LOXL3 Tchem Lysyl oxidase homolog 3 (44 Activities)

Discover Target: LOXL3

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

Objetivos asociados (no humanos)

Mus musculus (284745 Activities)

Explore this target

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

LOX Protein-lysine 6-oxidase (17 Activities)

Discover Target: LOX

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in water.
• Sensibilidad: Heat,Air,Moisture sensitive.
• Índice de refracción: 1.4365-1.4395
• Punto de inflamación (°C): 67℃
• Punto de ebullición (°C): 185°C
• Peso molecular: 70.090 g/mol
• XLogP3: -1.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 70.0531 Da
• Monoisotopic Mass: 70.0531 Da
• Topological Polar Surface Area: 49.800 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 49.200
• 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

Referencias

1. Da Xingwen, Li Ziyan, Huang Xiaofan, He Zuhan, Yu Yubing, Tian Tongtong, Xu Chengqi, Yao Yufeng, Wang Qing K..  (2023)  AGGF1 therapy inhibits thoracic aortic aneurysms by enhancing integrin α7-mediated inhibition of TGF-β1 maturation and ERK1/2 signaling.  Nature Communications,  14  (1): (1-19).  [PMID:37081014] [10.1038/s41467-023-37809-x]

2. Tingyu Zong, Yanyan Yang, Xiaotong Lin, Shaoyan Jiang, Hui Zhao, Meixin Liu, Yuanyuan Meng, Yong Li, Liang Zhao, Guozhang Tang, Kun Gong, Zhibin Wang, Tao Yu.  (2021)  5′-tiRNA-Cys-GCA regulates VSMC proliferation and phenotypic transition by targeting STAT4 in aortic dissection.  Molecular Therapy-Nucleic Acids,      [PMID:34513311] [10.1016/j.omtn.2021.07.013]

3. Tao Yu, Xiaolu Li, Chao Wang, Yanyan Yang, Xiuxiu Fu, Tianxiang Li, Wentao Wang, Xiangyu Liu, Xiaoxin Jiang, Ding Wei, Jian-Xun Wang.  (2025)  Lactylation of Mitochondrial Adenosine Triphosphate Synthase Subunit Alpha Regulates Vascular Remodeling and Progression of Aortic Dissection.  Research,      [PMID:40800583] [10.34133/research.0799]

4. Yang Huan-xin, Wang Bing-xin, Dong Xiao-liang, Sun Jia, Miao Zeng-li, Pan Li-long.  (2025)  Gut microbiota-derived butyrate prevents aortic dissection via GPR41.  ACTA PHARMACOLOGICA SINICA,      [PMID:40550961] [10.1038/s41401-025-01592-w]