RG7227, ITMN-191, RO5190591

Basic Information

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CAS Number

850876-88-9

Molecular Formula

C35H46FN5O9S

Molecular Weight

731.83 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

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

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Density

1.41

SMILES

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O=C(OC(C)(C)C)N[C@H]1CCCCC/C=C\[C@@H]2[C@](NC(=O)[C@H]3N(C1=O)C[C@@H](C3)OC(=O)N1Cc3c(C1)cccc3F)(C2)C(=O)NS(=O)(=O)C1CC1

InChI

InChI=1S/C35H46FN5O9S/c1-34(2,3)50-32(45)37-27-13-8-6-4-5-7-11-22-17-35(22,31(44)39-51(47,48)24-14-15-24)38-29(42)28-16-23(19-41(28)30(27)43)49-33(46)40-18-21-10-9-12-26(36)25(21)20-40/h7,9-12,22-24,27-28H,4-6,8,13-20H2,1-3H3,(H,37,45)(H,38,42)(H,39,44)/b11-7-/t22-,23+,27-,28-,35+/m0/s1

InChIKey

ZVTDLPBHTSMEJZ-DUDMPJCFSA-N

LogP

3.144300000000001

Topological Polar Surface Area

180.52 Å²

Hydrogen Bond Donor/Acceptor

3 / 14

Complexity

1530

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

RG7227, ITMN-191, RO5190591
4-Fluoro-1,3-dihydro-2H-isoindole-2-carboxylic acid (2R,6S,13aS,14aR,16aS)-14a-[[(cyclopropylsulfonyl)amino]carbonyl]-6-[[(1,1-dimethylethoxy)carbonyl]amino]-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydro-5,16-dioxocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-2-yl ester
Danoprevir
Danoprevir (ITMN-191)
(2R,6S,13aS,14aR,16aS,Z)-6-(((tert-butoxy)carbonyl)amino)-14a-((cyclopropylsulfonyl)carbamoyl)-5,16-dioxo-2,3,5,6,7,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa(e)pyrrolo[1,2-e][1,4]diazacyclo
Itmn-191 Danoprevir
(2,6-dimethylmorpholin-4-yl)acetic acid hydrochloride
(2R,6S)-(2,6-dimethylmorpholin-4-yl)acetic acid,hydrochloride
(2R,6S)-2,6-dimethyl-4-(4piperidinyl) morpholine
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]acetic acid
ITMN-191
R7227
RG7227
RO5190591
[(1S,4R,6S,7E,18R)-4-(Cyclopropylsulfonylcarbamoyl)-14-[(2-methylpropan-2-yl)oxycarbonylamino]-2,15-

MDL Number

MFCD16038038

FAQ

What are the physical and chemical properties of RG7227 (CAS: 850876-88-9)?

RG7227 (CAS: 850876-88-9) is a white crystalline solid with a molecular weight of approximately 517.6 g/mol. It has a high solubility in organic solvents such as DMSO and low solubility in water. RG7227 is known for its low reactivity and stability under normal conditions.

How is RG7227 (CAS: 850876-88-9) typically synthesized?

RG7227 (CAS: 850876-88-9) can be synthesized via a multi-step process involving protected amino acid derivatives and subsequent deprotection steps. Commonly, the reaction is performed in the presence of a strong base and a suitable catalyst, yielding a high purity product with good selectivity and a high yield of up to 90%.

What industries use RG7227 (CAS: 850876-88-9)?

RG7227 (CAS: 850876-88-9) is primarily used in the pharmaceutical industry for its potential as an antiviral agent. It may also find applications in sensor technology for detecting specific biomolecules and in the semiconductor industry for certain chemical processes.

What precautions should be taken when handling RG7227 (CAS: 850876-88-9)?

When handling RG7227 (CAS: 850876-88-9), it is important to wear appropriate personal protective equipment (PPE) including gloves, goggles, and a laboratory coat. Work should be conducted in a well-ventilated area or fume hood. Spills should be cleaned up immediately using appropriate materials, and the material safety data sheet (MSDS) should be consulted for detailed emergency procedures.