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SMER 28

SMER 28 structure

CAS No:
307538-42-7
Formula:
C11H10BrN3
Chemical Name:
SMER 28
Synonyms:
4-Quinazolinamine,6-bromo-N-2-propen-1-yl-;4-Quinazolinamine,6-bromo-N-2-propenyl-;6-Bromo-N-2-propen-1-yl-4-quinazolinamine;SMER 28
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

Description

SMER 28 is a member of the class of quinazolines that is quinazoline which is substituted by a prop-2-en-1-ylnitrilo group and a bromo group at positions 4 and 6, respectively. It is a modulator of mammalian autophagy. It has a role as an autophagy inducer. It is a member of quinazolines, a secondary amino compound and an organobromine compound.

SMER 28 Basic Attributes

Molecular Weight：

264.12

Exact Mass：

264.12

DSSTox ID：

DTXSID10364408

Characteristics

PSA：

37.8 Å²

Density：

1.520±0.06 g/cm3

Melting Point：

171-173 °C

Boiling Point：

391.6±32.0 °C(Predicted)

PKA：

6.12±0.50

Safety Information

wgk germany：

hazard class code：

37/38-41

safety instructions：

26-36/37

Marks：

GHS Classification：

|Danger|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

SMER 28 Use and Manufacturing

SMER 28 is a positive regulator of autophagy in a mechanism independent from the mTOR pathway. SMER 28 increases autophagosome synthesis and enhances clearance of model autophagy substrates such as A5 3T α-synuclein associated with Huntington's disease.

Computed Properties

Molecular Weight:264.12
XLogP3:3.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:263.00581
Monoisotopic Mass:263.00581
Topological Polar Surface Area:37.8
Heavy Atom Count:15
Complexity:222
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes