BCH - Moligand™, 10mM in Water , CAS No.20448-79-7

CAS: 20448-79-7 Cat. No.: B422486 分子式: C₈H₁₃NO₂ 分子量: 155.2

GRADE & PURITY Moligand™, 10mM in Water

Synonyms

DTXSID10942624 | NC00654 | J-013331 | Tertracid Ponceau 2R | BCHBCH | MFCD00167580 | Bicyclo(2.2.1)heptane-2-carboxylic acid, 2-amino- | GTPL4700 | 231A1554-11A8-45CA-9723-19013AAB1BEE | FT-0637999 | 2-Aminobicyclo[2.2.1]heptane-2-carboxylic acid # | b-BC

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

同義語

DTXSID10942624 | NC00654 | J-013331 | Tertracid Ponceau 2R | BCHBCH | MFCD00167580 | Bicyclo(2.2.1)heptane-2-carboxylic acid, 2-amino- | GTPL4700 | 231A1554-11A8-45CA-9723-19013AAB1BEE | FT-0637999 | 2-Aminobicyclo[2.2.1]heptane-2-carboxylic acid # | b-BC

仕様と純度

Moligand™, 10mM in Water

生化学的・生理学的メカニズム

Inhibitor ofL-type amino acid transporter LAT1. Suppresses growth and induces apoptosis via activation of caspases in KB, Saos2 and C6 cancer cell lines.

保管条件

Store at -80°C

入荷

Dry ice packs + Cold packs

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

等級

Moligand™

名前と識別子

• パブケム・シド: 528763400
• カノニカル・スマイル: C1CC2CC1CC2(C(=O)O)N
• IUPAC Name: 2-aminobicyclo[2.2.1]heptane-2-carboxylic acid
• InChIKey: MPUVBVXDFRDIPT-UHFFFAOYSA-N
• INCHI: 1S/C8H13NO2/c9-8(7(10)11)4-5-1-2-6(8)3-5/h5-6H,1-4,9H2,(H,10,11)
• 異性体SMILES: C1CC2CC1CC2(C(=O)O)N
• 分子量: 155.2
• Reaxy-Rn: 4131772
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4131772&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • 分類 Prenol lipids
      • Subclass Monoterpenoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 分類: Prenol lipids
• Subclass: Monoterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Bicyclic monoterpenoids
• Alternative Parents: Alpha amino acids Amino acids Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Alpha-amino acid - Alpha-amino acid or derivatives - Bicyclic monoterpenoid - Amino acid or derivatives - Amino acid - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Carbonyl group - Organopnictogen compound - Amine - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Aliphatic homopolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as bicyclic monoterpenoids. These are monoterpenoids containing exactly 2 rings, which are fused to each other.
• 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

関連ターゲット（人間）

MCF7 (126967 Activities)

Explore this target

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

SLC7A5 Tchem L-type amino acid transporter 1 (388 Activities)

Discover Target: SLC7A5

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

SLC43A1 Tbio L-type amino acid transporter 3 (7 Activities)

Discover Target: SLC43A1

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

関連ターゲット（非人間）

Slc16a10 Monocarboxylate transporter 10 (73 Activities)

Discover Target: Slc16a10

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

作用メカニズム

化学的性質と物理的性質

• 分子量: 155.190 g/mol
• XLogP3: -1.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 155.095 Da
• Monoisotopic Mass: 155.095 Da
• Topological Polar Surface Area: 63.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 204.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 3
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

参考文献

1. Longfa Kou, Xinyu Jiang, Yingying Tang, Xing Xia, Yingtao Li, Aimin Cai, Hailun Zheng, Hailin Zhang, Vadivel Ganapathy, Qing Yao, Ruijie Chen.  (2021)  Resetting amino acid metabolism of cancer cells by ATB0,+-targeted nanoparticles for enhanced anticancer therapy.  Bioactive Materials,      [PMID:34820552] [10.1016/j.bioactmat.2021.07.009]

2. Xueqian Yin, Pengfei Tan, Hao Luo, Jianwu Lan, Yidong Shi, Yong Zhang, Haojun Fan, Lin Tan.  (2019)  Study on the release behaviors of berberine hydrochloride based on sandwich nanostructure and shape memory effect.  Materials Science & Engineering C-Materials for Biological Applications,      [PMID:32228975] [10.1016/j.msec.2019.110541]

3. Xiao He, Zhongmin Wang, Huayang Bai, Yaqin Tang, Daimeng Feng, Shuyu Zhang, Robert J. Lee, Jing Xie, Yansun Sun.  (2025)  A dual-responsive metal-polyphenol nanomedicine based on targeting LAT1 via levodopa and ROS amplification for precise treatment of breast cancer.  FREE RADICAL BIOLOGY AND MEDICINE,      [PMID:41412529] [10.1016/j.freeradbiomed.2025.12.018]