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DH 97

DH 97 structure

CAS No:
343263-95-6
Formula:
C22H26N2O
Chemical Name:
DH 97
Synonyms:
DH 97;N-PENTANOYL-2-BENZYLTRYPTAMINE;1-Pentanone,1-[3-(2-aminoethyl)-2-(phenylmethyl)-1H-indol-1-yl]-;N-[2-(2-benzyl-1H-indol-3-yl)ethyl]pentanamide
Categories:
Organic Chemistry > Amides

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Description

N-[2-[2-(phenylmethyl)-1H-indol-3-yl]ethyl]pentanamide is a member of indoles.

DH 97 is an antagonist of melatonin receptor 2 (MT2; Kis = 252 and 1,100 for human MT2and MT1receptors, respectively).

DH 97 Basic Attributes

Molecular Weight：

334.46

Exact Mass：

334.20500

DSSTox ID：

DTXSID90392749

Characteristics

PSA：

44.89000

XLogP3：

4.99850

Density：

1.09±0.1 g/cm3(Predicted)

Boiling Point：

488.6±35.0 °C(Predicted)

Storage Conditions：

Store at RT

PKA：

9.53±0.10(Predicted)

Critical Temperature & Pressure：

Store at RT

Drug Information

MeSH Entry Terms：

DH 97

DH 97 Use and Manufacturing

DH97 is a potent melatonin receptor 2 (MT2) antagonist with Ki values of 252 nM and 1100 nM for MT2 and MT1, respectively[1].

Computed Properties

Molecular Weight:334.5
XLogP3:4.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:8
Exact Mass:334.204513457
Monoisotopic Mass:334.204513457
Topological Polar Surface Area:44.9
Heavy Atom Count:25
Complexity:405
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes