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AR-C141990 hydrochloride

CAT: 0931-T39767Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T39767Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2250019-94-2
Target
Monocarboxylate transporter, Others
Related Pathways
Others, Membrane transporter/Ion channel
Bioactivity
AR-C141990 hydrochloride is a potent inhibitor of lactate transporters known as monocarboxylate transporters (MCTs), with pK i values of 7.6 and 6.6 for MCT-1 and MCT-2, respectively. This compound also exhibits immunosuppressive properties and effectively inhibits the graft versus host response.
Smiles
Cl.CC(C)Cn1c2sc(Cc3ccnc4ccccc34)c(C(=O)N3CC[C@@H](O)C3)c2c(=O)n(C)c1=O
Molecular Formula
C26H29ClN4O4S
Molecular Weight
529.05
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

AR-C141990 (hydrochloride)
CAS Number2250019-94-2
PubChem CID129316183
IUPAC Name5-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-3-methyl-1-(2-methylpropyl)-6-(quinolin-4-ylmethyl)thieno[2,3-d]pyrimidine-2,4-dione;hydrochloride
Molecular FormulaC26H29ClN4O4S
Molecular Weight529.1
Topological Polar Surface Area122
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count36
Formal Charge0
Complexity840
SMILES
CC(C)CN1C2=C(C(=C(S2)CC3=CC=NC4=CC=CC=C34)C(=O)N5CC[C@H](C5)O)C(=O)N(C1=O)C.Cl
InChI
InChI=1S/C26H28N4O4S.ClH/c1-15(2)13-30-25-22(23(32)28(3)26(30)34)21(24(33)29-11-9-17(31)14-29)20(35-25)12-16-8-10-27-19-7-5-4-6-18(16)19;/h4-8,10,15,17,31H,9,11-14H2,1-3H3;1H/t17-;/m1./s1
InChIKey
NFFGLQDNUHBVEY-UNTBIKODSA-N
Chemical Structure
2D Structure
2D structure of AR-C141990 (hydrochloride)
CAS: 2250019-94-2
CID: 129316183
Formula: C26H29ClN4O4S
MW: 529.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight529.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass528.1598043
Monoisotopic Mass528.1598043
Topological Polar Surface Area122 Ų
Heavy Atom Count36
Formal Charge0
Complexity840
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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