Products for Research Use Only
RegisterLogin

PS372424 hydrochloride

CAT: 0931-T64661Size: 1 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-T64661Size:1 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
1596362-29-6
Target
CXCR
Related Pathways
Immunology/Inflammation, Autophagy, GPCR/G Protein
Purity
0.9503
Bioactivity
PS372424 hydrochloride is a three-amino-acid fragment of CXCL10 that functions as a specific human CXCR3 agonist with anti-inflammatory activity, capable of inhibiting human T-cell migration in humanized arthritic inflammation models.
Smiles
C(N[C@H](C(NCC1CCCCC1)=O)CCCNC(=N)N)(=O)[C@H]2N(C(CCC(=O)C3=CC=CC=C3)=O)CC=4C(C2)=CC=CC4.Cl
Molecular Formula
C33H45ClN6O4
Molecular Weight
625.2
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

PS372424 hydrochloride
CAS Number1596362-29-6
PubChem CID117064650
IUPAC Name(3S)-N-[(2S)-1-(cyclohexylmethylamino)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-(4-oxo-4-phenylbutanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide;hydrochloride
Molecular FormulaC33H45ClN6O4
Molecular Weight625.2
Topological Polar Surface Area160
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count5
Rotatable Bond Count13
Heavy Atom Count44
Formal Charge0
Complexity970
SMILES
C1CCC(CC1)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]2CC3=CC=CC=C3CN2C(=O)CCC(=O)C4=CC=CC=C4.Cl
InChI
InChI=1S/C33H44N6O4.ClH/c34-33(35)36-19-9-16-27(31(42)37-21-23-10-3-1-4-11-23)38-32(43)28-20-25-14-7-8-15-26(25)22-39(28)30(41)18-17-29(40)24-12-5-2-6-13-24;/h2,5-8,12-15,23,27-28H,1,3-4,9-11,16-22H2,(H,37,42)(H,38,43)(H4,34,35,36);1H/t27-,28-;/m0./s1
InChIKey
XHGSJQNAEULTAR-DHBRAOIWSA-N
Chemical Structure
2D Structure
2D structure of PS372424 hydrochloride
CAS: 1596362-29-6
CID: 117064650
Formula: C33H45ClN6O4
MW: 625.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight625.2
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count5
Rotatable Bond Count13
Exact Mass624.3190816
Monoisotopic Mass624.3190816
Topological Polar Surface Area160 Ų
Heavy Atom Count44
Formal Charge0
Complexity970
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

Related Products

CatalogName
T12567-01PS372424
T77217Saccharopine hydrochloride
T23379-01Solifenacin hydrochloride
T38447-01BN82002 hydrochloride
T40896Bromchlorbuterol hydrochloride
T33939-01Dagrocorat hydrochloride
T36365-01KAPA hydrochloride
T0204Protriptyline hydrochloride
T12877-01Seltorexant hydrochloride
T24181-01Isothipendyl hydrochloride

Alternative Products

CatalogName
HY-111149A-01PS372424 (hydrochloride)
GTR19257402PS372424 hydrochloride
HY-111149PS372424
A19421-25PS372424 25mg
561491PS372424 HCl
A19421-100PS372424 100mg
A19421-50PS372424 50mg
A19421-5PS372424 5mg
A19421-10PS372424 10mg
300563Ligustrazine Hydrochloride (Chuanxiongzine hydrochloride)

Popular Products