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(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a-isocyanato-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)icosahydro-1H-cyclopenta[a]chrysen-9-ol is a complex organic compound characterized by a cyclopenta[a]chrysen-9-ol backbone. It features a prop-1-en-2-yl group and an isocyanate functional group, contributing to its unique structure and reactivity. The molecule exhibits a highly symmetrical and three-dimensional configuration, with multiple methyl groups enhancing its stability and potential interactions with other molecules.

672958-04-2

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672958-04-2 Usage

Uses

Used in Synthetic Chemistry:
(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a-isocyanato-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)icosahydro-1H-cyclopenta[a]chrysen-9-ol is utilized as a key intermediate in synthetic chemistry for the development of novel compounds. Its unique structure and reactivity allow for the creation of new molecules with potential applications in various fields.
Used in Pharmaceutical Industry:
In the pharmaceutical industry, (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a-isocyanato-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)icosahydro-1H-cyclopenta[a]chrysen-9-ol serves as a precursor for the synthesis of new drug candidates. Its structural features may contribute to the development of innovative therapeutic agents with improved efficacy and selectivity.
Used in Material Science:
(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a-isocyanato-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)icosahydro-1H-cyclopenta[a]chrysen-9-ol is employed in material science for the design and synthesis of advanced materials. Its unique properties may lead to the creation of new materials with enhanced performance characteristics for various applications, such as in coatings, adhesives, or composites.
Further research and analysis are required to fully understand the properties and potential uses of this chemical, as its complex structure and reactivity may offer new opportunities in various industries.

Check Digit Verification of cas no

The CAS Registry Mumber 672958-04-2 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 6,7,2,9,5 and 8 respectively; the second part has 2 digits, 0 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 672958-04:
(8*6)+(7*7)+(6*2)+(5*9)+(4*5)+(3*8)+(2*0)+(1*4)=202
202 % 10 = 2
So 672958-04-2 is a valid CAS Registry Number.

672958-04-2Relevant academic research and scientific papers

C-3 ALKYL AND ALKENYL MODIFIED BETULINIC ACID DERIVATIVES

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Paragraph 0204, (2014/09/03)

Compounds having drug and bio-affecting properties, their pharmaceutical compositions and methods of use are set forth. In particular, alkyl and alkenyl C-3 modified betulinic acid derivatives that possess unique antiviral activity are provided as HIV maturation inhibitors, as represented by compounds of Formulas I, II, III and IV: a compound of Formula I a compound of Formula II a compound of Formula III and a compound of Formula IV These compounds are useful for the treatment of HIV and AIDS.

C-3 CYCLOALKENYL TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY

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Paragraph 0157-0159; 0184; 0185, (2013/08/28)

Compounds having drug and bio-affecting properties, their pharmaceutical compositions and methods of use are set forth. In particular, C-3 cycloalkenyl triterpenoids that possess unique antiviral activity are provided as HIV maturation inhibitors, as represented by compounds of Formulas I, II, III and IV: wherein X can be a C4-8 cycloalkyl, C4-8 cycloalkenyl, C4-9 spirocycloalkyl, C4-9 spirocycloalkenyl, C4-8 oxacycloalkyl, C4-8 dioxacycloalkyl, C6-8 oxacycloalkenyl, C6-8 dioxacycloalkenyl, C6-9 oxaspirocycloalkyl, or C6-9 oxaspirocycloalkenyl ring. These compounds are useful for the treatment of HIV and AIDS.

C-17 BICYCLIC AMINES OF TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY

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Paragraph 0364-0365, (2013/11/19)

Compounds having drug and bio-affecting properties, their pharmaceutical compositions and methods of use are set forth. In particular, C-17 bicyclic amines of triterpenoids that possess unique antiviral activity are provided as HIV maturation inhibitors, as represented by compounds of Formulas I, II and III: These compounds are useful for the treatment of HIV and AIDS.

Structure - Activity relationship study of betulinic acid, a novel and selective TGR5 agonist, and its synthetic derivatives: Potential impact in diabetes

Genet, Cédric,Strehle, Axelle,Schmidt, Céline,Boudjelal, Geoffrey,Lobstein, Annelise,Schoonjans, Kristina,Souchet, Michel,Auwerx, Johan,Saladin, Régis,Wagner, Alain

supporting information; experimental part, p. 178 - 190 (2010/04/30)

We describe here the biological screening of a collection of natural occurring triterpenoids against the G protein-coupled receptor TGR5, known to be activated by bile acids and which mediates some important cell functions. This work revealed that betulinic (1), oleanolic (2), and ursolic acid (3) exhibited TGR5 agonist activity in a selective manner compared to bile acids, which also activated FXR, the nuclear bile acid receptor. The most potent natural triterpenoid betulinic acid was chosen as a reference compound for an SAR study. Hemisyntheses were performed on the betulinic acid scaffold, and we focused on structural modifications of the C-3 alcohol, the C-17 carboxylic acid, and the C-20 alkene. In particular, structural variations around the C-3 position gave rise to major improvements of potency exemplified with derivatives 18 dia 2 (RG-239) and 19 dia 2. The best derivative was tested in vitro and in vivo, and its biological profile is discussed.

NOVEL 17? LUPANE DERIVATIVES

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Page/Page column 63-64, (2009/10/09)

The invention relates to 17? lupane derivatives of formula (I): wherein R1 and X are as defined herein, and pharmaceutically acceptable salts and solvates thereof. These compounds exhibit significant anti-HIV activity. Thus, the invention also

Synthesis and antiviral activity of ureides and carbamates of betulinic acid and its derivatives

Flekhter,Boreko,Nigmatullina,Tret'yakova,Pavlova,Baltina,Nikolaeva,Savinova,Galin,Tolstikov

, p. 594 - 600 (2007/10/03)

Ureides and carbamates of betulinic acid and its derivatives were prepared in good yields by interaction of betulinic acid, betulonic acid, and betulonic acid 3-oxime with amines, amino acids, and alcohols. Ureides of betulonic acid containing L-Val and L

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