Rosiptor - Moligand™, ≥98% , Phosphatidylinositol-3,4,5-trisphosphate 5-phosphatase 1 activator, CAS No.782487-28-9, Phosphatidylinositol-3,4,5-trisphosphate 5-phosphatase 1 activator

CAS: 782487-28-9 Cat. No.: R304642 分子式: C₂₀H₃₅NO₂ 分子量: 321.5 PubChem CID: 76965484

GRADE & PURITY Moligand™, ≥98%

Synonyms

ROSIPTOR [WHO-DD] | CYCLOHEXANEMETHANOL, 2-((3AS,4R,5S,7AS)-4-(AMINOMETHYL)OCTAHYDRO-7A-METHYL-1-METHYLENE-1H-INDEN-5-YL)-5-HYDROXY-2-METHYL-, (1S,2R,5S)- | D11275 | MDEJTPWQNNMAQF-BVMLLJBZSA-N | DB13012 | ROSIPTOR [INN] | AC-30923 | Rosiptor (USAN/INN) |

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

同義語

ROSIPTOR [WHO-DD] | CYCLOHEXANEMETHANOL, 2-((3AS,4R,5S,7AS)-4-(AMINOMETHYL)OCTAHYDRO-7A-METHYL-1-METHYLENE-1H-INDEN-5-YL)-5-HYDROXY-2-METHYL-, (1S,2R,5S)- | D11275 | MDEJTPWQNNMAQF-BVMLLJBZSA-N | DB13012 | ROSIPTOR [INN] | AC-30923 | Rosiptor (USAN/INN) |

仕様と純度

Moligand™, ≥98%

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

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™

アクションタイプ

ACTIVATOR

作用メカニズム

Phosphatidylinositol-3,4,5-trisphosphate 5-phosphatase 1 activator

純度

≥98%

製品の性質

• ALogP: 3

名前と識別子

• カノニカル・スマイル: C[C@@]1(CC[C@@H](C[C@@H]1CO)O)[C@H]2CC[C@]3([C@H]([C@@H]2CN)CCC3=C)C
• IUPAC Name: (1S,3S,4R)-4-[(3aS,4R,5S,7aS)-4-(aminomethyl)-7a-methyl-1-methylidene-3,3a,4,5,6,7-hexahydro-2H-inden-5-yl]-3-(hydroxymethyl)-4-methylcyclohexan-1-ol
• InChIKey: MDEJTPWQNNMAQF-BVMLLJBZSA-N
• INCHI: 1S/C20H35NO2/c1-13-4-5-17-16(11-21)18(7-9-19(13,17)2)20(3)8-6-15(23)10-14(20)12-22/h14-18,22-23H,1,4-12,21H2,2-3H3/t14-,15+,16+,17+,18+,19-,20+/m1/s1
• 異性体SMILES: C[C@@]1(CC[C@@H](C[C@@H]1CO)O)[C@H]2CC[C@]3([C@H]([C@@H]2CN)CCC3=C)C
• PubChem CID: 76965484
• 分子量: 321.5

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • 分類 Organooxygen compounds
      • Subclass Alcohols and polyols
        • Level5 Secondary alcohols
          • Level6 Cyclohexanols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 分類: Organooxygen compounds
• Subclass: Alcohols and polyols
• Intermediate Tree Nodes: Secondary alcohols
• Direct Parent: Cyclohexanols
• Alternative Parents: Cyclic alcohols and derivatives Primary alcohols Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Cyclohexanol - Cyclic alcohol - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Primary alcohol - Organonitrogen compound - Primary aliphatic amine - Amine - Aliphatic homopolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as cyclohexanols. These are compounds containing an alcohol group attached to a cyclohexane ring.
• 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）

INPP5D Tbio Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 1 (0 Activities)

Discover Target: INPP5D

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

化学的性質と物理的性質

• 分子量: 321.500 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 321.267 Da
• Monoisotopic Mass: 321.267 Da
• Topological Polar Surface Area: 66.500 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 465.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 7
• 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

参考文献

1. Li Gao, Junsheng Zhang, Tingting Yang, Ling Jiang, Xueqi Liu, Sheng Wang, Xian Wang, Yuebo Huang, Huaying Wang, Mengya Zhang, Tingting Gong, Lijuan Ma, Chao Li, Chaoyong He, Xiao-ming Meng, Yonggui Wu.  (2023)  STING/ACSL4 axis-dependent ferroptosis and inflammation promote hypertension-associated chronic kidney disease.  MOLECULAR THERAPY,      [PMID:37533255] [10.1016/j.ymthe.2023.07.026]

2. Fangyuan Chen, Qingmei Liu, Lei Ma, Cuishi Yan, Haiman Zhang, Zhi Zhou, Wei Yi.  (2024)  Identification of Novel Organo-Se BTSA-Based Derivatives as Potent, Reversible, and Selective PPARγ Covalent Modulators for Antidiabetic Drug Discovery.  JOURNAL OF MEDICINAL CHEMISTRY,      [PMID:39705161] [10.1021/acs.jmedchem.4c02803]

3. Zheng Xiao, Peng Luo, Guoli Li, Huifang Tan, Chen Zhou, Dong Zeng, Yinyin Chen, Ying Li.  (2025)  HPDA-based tubule-targeting nanoplatform alleviates oxidative stress and ferroptosis for the reversal of renal interstitial fibrosis.  JOURNAL OF NANOBIOTECHNOLOGY,      [PMID:41390419] [10.1186/s12951-025-03927-5]

よくある質問

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 782487-28-9, the molecular formula is C20H35NO2, and the molecular weight is 321.5 g/mol. InChIKey MDEJTPWQNNMAQF-BVMLLJBZSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.