HX 630

CAT: 0931-T22844-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0931-T22844-01Size:25 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

188844-52-2

Target

Others, Retinoid Receptor, Apoptosis

Related Pathways

Metabolism, Others, Apoptosis

Bioactivity

RXR agonist

Smiles

CC1(C)C=2C=C3C(=NC=4C(SC3=CC2C(C)(C)CC1)=CC=CC4)C5=CC=C(C(O)=O)C=C5

Molecular Formula

C28H27NO2S

Molecular Weight

441.58

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

HX-630

a retinoid X receptor ligand that functions as both an RAR synergist and peroxisome proliferator-activated receptor gamma synergist; structure in first source

CAS Number	188844-52-2
PubChem CID	9889522
IUPAC Name	4-(7,7,10,10-tetramethyl-8,9-dihydronaphtho[2,3-b][1,5]benzothiazepin-12-yl)benzoic acid
Molecular Formula	C28H27NO2S
Molecular Weight	441.6
XLogP	7.8
Topological Polar Surface Area	75
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	32
Formal Charge	0
Complexity	751

SMILES

CC1(CCC(C2=C1C=C3C(=C2)SC4=CC=CC=C4N=C3C5=CC=C(C=C5)C(=O)O)(C)C)C

InChI

InChI=1S/C28H27NO2S/c1-27(2)13-14-28(3,4)21-16-24-19(15-20(21)27)25(17-9-11-18(12-10-17)26(30)31)29-22-7-5-6-8-23(22)32-24/h5-12,15-16H,13-14H2,1-4H3,(H,30,31)

InChIKey

PFGCWQPTOKPRRK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 188844-52-2

CID: 9889522

Formula: C28H27NO2S

MW: 441.6

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	441.6
XLogP3	7.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	441.17625028
Monoisotopic Mass	441.17625028
Topological Polar Surface Area	75 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	751
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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T86297-01	BDP 630/650 alkyne
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T64134-01	BDP 630/650 amine

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