FR 901379 (>90%)

Basic Information

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CAS Number

144371-88-0

Molecular Formula

C51H82N8O21S

Molecular Weight

1175.32 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

SMILES

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CCCCCCCCCCCCCCCC(=O)N[C@H]1C[C@H]([C@H](NC(=O)[C@@H]2[C@H]([C@H](CN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@@H](NC1=O)[C@@H](C)O)O)[C@@H]([C@H](c4ccc(c(c4)OS(=O)(=O)O)O)O)O)[C@@H](CC(=O)N)O)C)O)O)O

InChI

InChI=1S/C51H82N8O21S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-37(66)53-30-22-34(64)47(72)57-49(74)41-42(67)26(2)24-59(41)51(76)39(33(63)23-36(52)65)55-48(73)40(44(69)43(68)28-18-19-32(62)35(20-28)80-81(77,78)79)56-46(71)31-21-29(61)25-58(31)50(75)38(27(3)60)54-45(30)70/h18-20,26-27,29-31,33-34,38-44,47,60-64,67-69,72H,4-17,21-25H2,1-3H3,(H2,52,65)(H,53,66)(H,54,70)(H,55,73)(H,56,71)(H,57,74)(H,77,78,79)/t26-,27+,29+,30-,31-,33+,34+,38-,39-,40-,41-,42-,43-,44-,47+/m0/s1

InChIKey

KAPLTEIQCKDUAT-UYCSHIFKSA-N

LogP

-3.62550000000001

Topological Polar Surface Area

474.8800000000001 Å²

Hydrogen Bond Donor/Acceptor

17 / 29

Complexity

2230

Synonyms & References

English

FR 901379
[5-[(1S,2S)-2-[(3S,6S,9S,11R,15S,18S,20R,21R,24S,25S,26S)-3-[(1R)-3-Amino-1-hydroxy-3-oxopropyl]-18-
FR 901379 (>90%)
5-((1S,2S)-2-((2R,6S,9S,11R,12R,14aS,15S,16S,20S,23S,25aS)-20-((R)-3-amino-1-hydroxy-3-oxopropyl)-2,11,12,15-tetrahydroxy-6-((R)-1-hydroxyethyl)-16-methyl-5,8,14,19,22,25-hexaoxo-9-palmitamidotetracosahydro-1H-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacyclohenicosin-23-yl)-1,2-dihydroxyethyl)-2-hydroxyphenyl hydrogen sulfate

MDL Number

MFCD00903560

FAQ

What are the physical and chemical properties of FR 901379 (CAS: 144371-88-0)?

FR 901379 is a crystalline compound with a molecular weight of approximately 456.4 g/mol. It has poor water solubility but is more soluble in organic solvents such as ethanol and dimethyl sulfoxide. Chemically, it is stable under normal conditions but can undergo hydrolysis in the presence of moisture. Its reactivity is low, making it suitable for various applications without significant degradation.

How is FR 901379 (CAS: 144371-88-0) typically synthesized?

FR 901379 is synthesized through a multistep reaction involving the coupling of a substituted aromatic amine with a substituted aromatic aldehyde. The reaction typically requires the use of a catalyst such as p-toluenesulfonic acid and occurs in organic solvents. The process yields the target compound with a high degree of selectivity and purity, often exceeding 90%.

What industries use FR 901379 (CAS: 144371-88-0)?

FR 901379 is primarily used in the pharmaceutical industry for its potential as a selective inhibitor of the estrogen receptor. It also finds applications in the development of new materials, particularly in the synthesis of polymers with specific properties. Additionally, it is explored in the field of sensors and semiconductors for its unique physicochemical properties.

What precautions should be taken when handling FR 901379 (CAS: 144371-88-0)?

When handling FR 901379, it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to minimize inhalation risks. Spills should be cleaned up using appropriate absorbent materials, and the area should be thoroughly decontaminated. Always consult the Safety Data Sheet (SDS) for detailed handling and disposal instructions.