NSC95682

Modify Date: 2024-01-14 09:01:51

NSC95682 Structure
NSC95682 structure
Common Name NSC95682
CAS Number 20035-41-0 Molecular Weight 231.04300
Density 1.653g/cm3 Boiling Point 282.1ºC at 760mmHg
Molecular Formula C8H7BrO3 Melting Point 102-105 °C(lit.)
MSDS USA Flash Point 124.4ºC
Symbol GHS07
GHS07
Signal Word Warning

 Use of NSC95682


NSC95682 is an IRE-1α inhibitor with an IC50 of 0.08 μM, extracted from patent WO 2008154484 A1, IRE-lα inhibitor compound 3-5.

 Names

Name 6-bromo-2-hydroxy-3-methoxybenzaldehyde
Synonym More Synonyms

 NSC95682 Biological Activity

Description NSC95682 is an IRE-1α inhibitor with an IC50 of 0.08 μM, extracted from patent WO 2008154484 A1, IRE-lα inhibitor compound 3-5.
Related Catalog
Target

IC50: 0.08 μM (IRE-1α)[1]

References

[1]. John Bruce Patterson, et al. Ire-1a inhibitors. WO 2008154484 A1

 Chemical & Physical Properties

Density 1.653g/cm3
Boiling Point 282.1ºC at 760mmHg
Melting Point 102-105 °C(lit.)
Molecular Formula C8H7BrO3
Molecular Weight 231.04300
Flash Point 124.4ºC
Exact Mass 229.95800
PSA 46.53000
LogP 1.97580
Vapour Pressure 0.00201mmHg at 25°C
Index of Refraction 1.622

 Safety Information

Symbol GHS07
GHS07
Signal Word Warning
Hazard Statements H315-H319-H335
Precautionary Statements P261-P305 + P351 + P338
Personal Protective Equipment dust mask type N95 (US);Eyeshields;Gloves
Hazard Codes Xi: Irritant;
Risk Phrases R36/37/38
Safety Phrases S26-S36
RIDADR NONH for all modes of transport
WGK Germany 3
HS Code 2913000090

 Synthetic Route

~96%

NSC95682 Structure

NSC95682

CAS#:20035-41-0

Literature: Journal of Medicinal Chemistry, , vol. 43, # 14 p. 2731 - 2737

~66%

NSC95682 Structure

NSC95682

CAS#:20035-41-0

Literature: Journal of Organic Chemistry, , vol. 52, # 20 p. 4485 - 4489

~%

NSC95682 Structure

NSC95682

CAS#:20035-41-0

Literature: Tetrahedron Letters, , vol. 44, # 27 p. 5129 - 5132

~%

NSC95682 Structure

NSC95682

CAS#:20035-41-0

Literature: Zeitschrift fuer Naturforschung, Teil B: Anorganische Chemie, Organische Chemie, , vol. 41, # 10 p. 1273 - 1280

~%

NSC95682 Structure

NSC95682

CAS#:20035-41-0

Literature: Zeitschrift fuer Naturforschung, Teil B: Anorganische Chemie, Organische Chemie, , vol. 41, # 10 p. 1273 - 1280

 Customs

HS Code 2913000090
Summary HS: 2913000090 halogenated, sulphonated, nitrated or nitrosated derivatives of products of heading 2912 Educational tariff:17.0% Tax rebate rate:9.0% Regulatory conditions:none Most favored nation tariff:5.5% General tariff:30.0%

 Synonyms

6-bromo-2-hydroxy-3-methoxy-benzaldehyde
6-bromo-3-methoxysalicylaldehyde
6-bromo-2-hydroxy-3methoxy-benzyldehyde
2-bromo-5-methoxy-6-hydroxybenzaldehyde
MFCD00046152
2-Hydroxy-3-methoxy-6bromo-benzaldehyde
6-BroMo-2-hydroxy-3-Methoxybenzaldehyde
NSC95682
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