Products for Research Use Only
RegisterLogin

IRE1a-IN-2

CAT: 0804-HY-158393Size: 1 EachDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0804-HY-158393Size:1 Each
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
IRE1a-IN-2 (Compound 30) is an IRE1α inhibitor, with an IC50 of over than 200 nM for XBP1 mRNA. IRE1a-IN-2 can be used for the research of cancer[1].
CAS Number
3033375-24-2
UNSPSC
12352005
Target
IRE1
Type
Reference compound
Related Pathways
Cell Cycle/DNA Damage
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/ire1a-in-2.html
Smiles
CC1=C(C(OC2=C1C3=C(C(O)=C2C=O)OCCC3)=O)CC(N4CCSC4)=O
Molecular Formula
C19H19NO6S
Molecular Weight
389.42
References & Citations
[1]Jin ZS, et al. Novel tricyclic heterocyclic aldehyde compound for inhibiting IRE1α and pharmaceutical composition containing the compound. WO2024072110A1.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

IRE1a-IN-2
CAS Number3033375-24-2
PubChem CID171491357
IUPAC Name6-hydroxy-1-methyl-3-oxo-2-[2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]-9,10-dihydro-8H-pyrano[3,2-f]chromene-5-carbaldehyde
Molecular FormulaC19H19NO6S
Molecular Weight389.4
XLogP1.8
Topological Polar Surface Area118
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count27
Formal Charge0
Complexity679
SMILES
CC1=C(C(=O)OC2=C(C(=C3C(=C12)CCCO3)O)C=O)CC(=O)N4CCSC4
InChI
InChI=1S/C19H19NO6S/c1-10-12(7-14(22)20-4-6-27-9-20)19(24)26-17-13(8-21)16(23)18-11(15(10)17)3-2-5-25-18/h8,23H,2-7,9H2,1H3
InChIKey
YYVMXWNBXDUPOA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of IRE1a-IN-2
CAS: 3033375-24-2
CID: 171491357
Formula: C19H19NO6S
MW: 389.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight389.4
XLogP31.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass389.09330850
Monoisotopic Mass389.09330850
Topological Polar Surface Area118 Ų
Heavy Atom Count27
Formal Charge0
Complexity679
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
HY-158386IRE1a-IN-1
HY-173497IRE1-IN-2
HY-18509-01IRE1α kinase-IN-2
HY-W011060-01Cryptand 2.2.2
HY-B1500-012,2,2-Trichloroethanol
HY-W0733142,2,2-Trifluoroethoxyamine (hydrochloride)
HY-N2048-012,2':5',2''-Terthiophene
HY-W011060R-01Cryptand 2.2.2 (Standard)
HY-Z8487-012- (2-Chlorophenyl) -2-hydroxycyclohexanone
HY-W098021-012,2-Dimethoxy-2-phenylacetophenone

Alternative Products

CatalogName
T88098-01IRE1a-IN-2
T88209-01IRE1a-IN-1
PHY7447SIRE1A Antibody
GTR17697661ERN1/IRE1a Antibody
bs-60168C-01APY29 --- IRE1a Modulator
BUP03433-01IRE1a kinase-IN-1
MBS425635-01ERN1 / IRE1a Immunizing Peptide
bs-60167C-01IRE-3 --- IRE1a Modulator
AG1876IRE1A Mouse Monoclonal Antibody
STJ71581Anti-ERN1 / IRE1a antibody

Popular Products