{1-(Ethylsulfonyl)-3-[4-(1H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]-3-azetidinyl}acetonitrile phosphate (1:1) | CAS No. 1187595-84-1

{1-(Ethylsulfonyl)-3-[4-(1H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]-3-azetidinyl}acetonitrile phosphate (1:1)

Basic Information

CAS Number

1187595-84-1

Molecular Formula

C16H20N7O6PS

Molecular Weight

115.02 g/mol

AD

Basic Physical Properties

OP(=O)(O)O.N#CCC1(CN(C1)S(=O)(=O)CC)n1ncc(c1)c1ncnc2c1cc[nH]2

InChI

InChI=1S/H3N.H3O4P/c;1-5(2,3)4/h1H3;(H3,1,2,3,4)

InChIKey

LFVGISIMTYGQHF-UHFFFAOYSA-N

LogP

-0.7666000000000004

Topological Polar Surface Area

112.76 Ų

Hydrogen Bond Donor/Acceptor

6 / 5

Complexity

728

Safety Information

View Safety Information

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral
H315 Causes skin irritation
Skin corrosion/irritation
H319 Causes serious eye irritation
Serious eye damage/eye irritation
H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

  • INCB-28050
  • Baricitinib phosphate
  • 2-[1-ethylsulfonyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile,phosphoric acid
  • [1-(Ethylsulfonyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]azetidin-3-yl]acetonitrile phosphate
  • Baricitinib phosphate salt
  • INCB 028050
  • INCB-028050
  • LY 3009104
  • LY-3009104
  • Baricitinib (phosphate)
  • XIB47S8NNB
  • INCB28050
  • baricitinib-phosphate
  • Baricitinib?Phosphate
  • 3-Azetidineacetonitrile, 1-(ethylsulfonyl)-3-(4-(7H-pyrrolo(2,3-d)pyrimidin-4-yl)-1H-pyrazol-1-yl)-, phosphate (1:1)
  • SYN1117
  • FBPOWTFFUBBKBB-UHFFFAOYSA-N
  • C16H17N7O2S.H3PO4
  • BCP15527
  • [1-(Ethylsulfonyl)-3-[4-(7H-p

MDL Number

MFCD25976707

FAQ

What is {1-(Ethylsulfonyl)-3-[4-(1H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]-3-azetidinyl}acetonitrile phosphate (1:1) (CAS: 1187595-84-1)?

{1-(Ethylsulfonyl)-3-[4-(1H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]-3-azetidinyl}acetonitrile phosphate (1:1) is a chemical compound with the CAS number 1187595-84-1. It is a phosphate salt derived from an acetonitrile derivative and a pyrazolopyrimidine derivative. This compound has a molecular formula that includes nitrogen, oxygen, sulfur, and carbon, with specific structural characteristics that make it useful in pharmaceutical applications.

What are the main uses of {1-(Ethylsulfonyl)-3-[4-(1H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]-3-azetidinyl}acetonitrile phosphate (1:1) (CAS: 1187595-84-1)?

This compound is primarily used in the pharmaceutical industry as an intermediate or active pharmaceutical ingredient (API) in the development of drugs targeting various diseases, such as cancer and metabolic disorders. It may also be used in research for studying the mechanisms of action of related chemical entities.

Is {1-(Ethylsulfonyl)-3-[4-(1H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]-3-azetidinyl}acetonitrile phosphate (1:1) (CAS: 1187595-84-1) safe?

The safety of {1-(Ethylsulfonyl)-3-[4-(1H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]-3-azetidinyl}acetonitrile phosphate (1:1) (CAS: 1187595-84-1) depends on its intended use and exposure conditions. It is generally considered safe when used under controlled conditions as a pharmaceutical intermediate or API, but precautions should be taken to avoid skin contact and inhalation. Proper handling and storage in a well-ventilated area are recommended.

How should {1-(Ethylsulfonyl)-3-[4-(1H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]-3-azetidinyl}acetonitrile phosphate (1:1) (CAS: 1187595-84-1) be stored?

To maintain the integrity and safety of {1-(Ethylsulfonyl)-3-[4-(1H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]-3-azetidinyl}acetonitrile phosphate (1:1) (CAS: 1187595-84-1), it should be stored in a cool, dry place away from direct sunlight and heat sources. The container should be tightly sealed to prevent moisture and contamination. It is advisable to store it in a dedicated, well-labeled container to ensure proper identification and safe handling in the laboratory or industrial setting.

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