SB-590885 | CAS No. 405554-55-4

SB-590885

Basic Information

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CAS Number

405554-55-4

Molecular Formula

C27H27N5O2

Molecular Weight

453.5 g/mol

Chemical Classification

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

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Physical State

white to beige

Density

1.27

Solubility

DMSO: soluble2mg/mL (clear solution, warmed)

SMILES

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CN(C)CCOC1=CC=C(C=C1)C2=NC(=C(N2)C3=CC=NC=C3)C4=CC5=C(C=C4)C(=NO)CC5

InChI

InChI=1S/C27H27N5O2/c1-32(2)15-16-34-22-7-3-19(4-8-22)27-29-25(18-11-13-28-14-12-18)26(30-27)21-5-9-23-20(17-21)6-10-24(23)31-33/h3-5,7-9,11-14,17,33H,6,10,15-16H2,1-2H3,(H,29,30)/b31-24+

InChIKey

MLSAQOINCGAULQ-QFMPWRQOSA-N

LogP

4.870600000000003

Topological Polar Surface Area

86.63000000000001 Å²

Hydrogen Bond Donor/Acceptor

2 / 7

Complexity

674

Synonyms & References

English

5-(2-(4-(2-(dimethylamino)ethoxy)phenyl)-5-(pyridin-4-yl)-1H-imidazol-4-yl)-2,3-dihydro-1H-inden-1-one oxime
SCHEMBL131578
SB-590885 (RAF)
SB590885
(E)--(2-(dimethylamino)ethoxy)phenyl)-5-(pyridin-4-yl)-1H-imidazol-4-yl)-2,3-dihydro-1H-inden-1-one oxime
405554-55-4
BCPP000070
A25514
5-[2-[4-[2-(Dimethylamino)ethoxy]phenyl]-5-(4-pyridinyl)-1H-imidazol-4-yl]-2,3-dihydro-1H-inden-1-one oxime
AKOS027288720
CHEMBL477989
(E)-SB 590885
BRD-K78809024-001-05-7
s2220
NSC756456
NSC-756456
CCG-264947
EX-A612
Q27225284
5-[2-[4-[2-(Dimethylamino)ethoxy]phenyl]-5-(4-pyridinyl)-1H-imidazol-4-yl]-2,3-dihydro-1H-inden-1-one oxime;SB-590885
5-(2-(4-(2-(dimethylamino)ethoxy)phenyl)-5-(pyridin-4-yl)-1H-imidazol-4-yl)-2,3-dihydro-1H-inden-1-oneoxime
(E)-SB590885
SCHEMBL12518520
SCHEMBL17378611
AS-16232
J-501805
(Z)-SB-590885
AC-36016
(1E)-N-{5-[2-{4-[2-(dimethylamino)ethoxy]phenyl}-4-(pyridin-4-yl)-1H-imidazol-5-yl]-2,3-dihydro-1H-inden-1-ylidene}hydroxylamine
AMY20674
SCHEMBL16111665

MDL Number

MFCD16038645

Customs Code

2933998090

FAQ

What are the physical and chemical properties of SB-590885 (CAS: 405554-55-4)?

SB-590885 is a white to off-white, crystalline solid with a molecular weight of approximately 398.44 g/mol. It is slightly soluble in water and ethanol. Chemically, it is known for its low reactivity under normal conditions, but it can undergo slow hydrolysis in the presence of moisture.

How is SB-590885 (CAS: 405554-55-4) typically synthesized?

SB-590885 is synthesized through a multistep process involving the condensation of a suitable amino alcohol with an aromatic aldehyde, followed by amination. The reaction is typically catalyzed by a transition metal, such as palladium, and proceeds with high selectivity, yielding a product with a purity of over 98%.

What industries use SB-590885 (CAS: 405554-55-4)?

SB-590885 is primarily used in the pharmaceutical industry for its role as an investigational drug. It is also explored in the field of chemical sensors due to its unique reactivity and in electronic applications as a potential semiconductor material.

What precautions should be taken when handling SB-590885 (CAS: 405554-55-4)?

When handling SB-590885, it is recommended to use personal protective equipment such as gloves, lab coat, and safety goggles. Work should be conducted in a well-ventilated area or under a fume hood to minimize inhalation risk. In case of a spill, neutralize any reactive species with a suitable base and dispose of according to local regulations. Always consult the Safety Data Sheet (SDS) for specific handling instructions.