Description

(1R,3As,5Ar,5Br,7Ar,11Ar,11Br,13Ar,13Br)-3A-Isocyanato-5A,5B,8,8,11A-Pentamethyl-1-(Prop-1-En-2-Yl)Octadecahydro-1H-Cyclopenta[A]Chrysen-9(5Bh)-One is a high-purity, complex steroidal isocyanate derivative, serving as a critical advanced pharmaceutical intermediate (API) for the synthesis of novel therapeutic agents. Its unique functionalized pentacyclic structure makes it an essential building block for medicinal chemistry research and development. This compound is primarily utilized by pharmaceutical R&D and fine chemical synthesis teams focused on developing next-generation steroid-based drugs and bioactive molecules.

Application

• Pharmaceutical Intermediate: Key precursor in the synthesis of novel steroidal drugs targeting hormonal regulation, anti-inflammatory pathways, or oncology.
• Medicinal Chemistry Research: Used as a versatile scaffold for structure-activity relationship (SAR) studies and lead optimization in drug discovery programs.
• Bioconjugation & Prodrug Development: The reactive isocyanate group enables conjugation with polymers, peptides, or targeting ligands to create advanced drug delivery systems.
• Chemical Biology Probes: Serves as a starting material for developing activity-based probes to study steroid receptor interactions and enzyme functions.
• Fine Chemical Synthesis: Employed in multi-step organic synthesis to construct complex natural product analogs and high-value specialty chemicals.
• Academic & Institutional Research: Used in university and institutional labs for fundamental research in organic synthesis and steroid chemistry.

Basic Information

Product Name	(1R,3As,5Ar,5Br,7Ar,11Ar,11Br,13Ar,13Br)-3A-Isocyanato-5A,5B,8,8,11A-Pentamethyl-1-(Prop-1-En-2-Yl)Octadecahydro-1H-Cyclopenta[A]Chrysen-9(5Bh)-One
CAS No.	628308-21-4
Molecular Formula	C₃₀H₄₅NO₂
Molecular Weight	463.69 g/mol
Synonyms	3A-Isocyanato-5A,5B,8,8,11A-pentamethyl-1-(prop-1-en-2-yl)octadecahydro-1H-cyclopenta[a]chrysen-9(5Bh)-one; Steroidal C3-Isocyanate; 3-Isocyanatoandrostane derivative; Pentacyclic Steroid Isocyanate; (1R,3As,5Ar,5Br,7Ar,11Ar,11Br,13Ar,13Br)-3a-Isocyanato-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)octadecahydro-1H-cyclopenta[a]chrysen-9(5bh)-one; 628308-21-4; API Intermediate 628308-21-4
EINECS	Contact for details

Quality Control

Every batch of this advanced intermediate is produced and tested under a strict quality management system to ensure consistency and purity for critical R&D and synthesis applications. We provide comprehensive Certificates of Analysis (COA) with each shipment, detailing identity, purity, and impurity profiles. Our quality commitment aligns with the standards expected for pharmaceutical-grade intermediates, supporting our clients' regulatory and documentation needs.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry place at a controlled room temperature (15-25°C). This product is hygroscopic (moisture-sensitive) and should be handled under anhydrous conditions or a dry inert atmosphere to prevent decomposition. Keep the container tightly sealed when not in use.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (HPLC)	Conforms to reference
Assay (HPLC)	≥ 97.0%
Related Substances (HPLC)	Total impurities ≤ 3.0% Any single impurity ≤ 1.0%
Water Content (KF)	≤ 0.5%
Residue on Ignition	≤ 0.1%

Note: Specifications can be tailored. Please contact us for the detailed technical data sheet of a specific grade.