Products for Research Use Only
RegisterLogin

BMS-986238

CAT: 0013-GTR19258484-01Size: 50 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19258484-01Size:50 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
BMS-986238 is a second-generation macrocyclic peptide and an effective PD-L1 inhibitor. It holds potential for research in the treatment of solid tumors and lymphomas (cancer of the lymphatic system) .
CAS Number
2919596-13-5
Field of Research
Cell Biology, Immunology & Inflammation
Smiles
C (C=1C=2C (N (CC (O) =O) C1) =CC=CC2) [C@H]3C (=O) N (C) [C@@H] (CCCC) C (=O) N (C) [C@@H] (CCCC) C (=O) N[C@@H] (CC (C) C) C (=O) N[C@H] (C (NCC (N[C@@H] (CC4=CN (CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC (CC[C@H] (NC (CCCCCCCCCCCCCCCCC (O) =O) =O) C (O) =O) =O) N=N4) C (O) =O) =O) =O) CSCC (=O) N[C@@H] (CC5=CC=C (O) C=C5) C (=O) N (C) [C@@H] (C) C (=O) N[C@@H] (CC (N) =O) C (=O) N6[C@] (C (=O) N[C@@H] (CN) C (=O) N[C@@H] (CC (C) C) C (=O) N7[C@] (C (=O) N[C@@H] (CC=8C=9C (NC8) =CC=CC9) C (=O) N[C@@H] (CCN) C (=O) N3) (C[C@@H] (O) C7) [H]) (CCC6) [H]
Molecular Formula
C143H224N26O40S
Molecular Weight
2979.52
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

18-[[(1S)-4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-[(2S)-2-[[2-[[(3S,6S,9S,15S,18S,21S,27R,30S,33S,36S,39S,42S,45S,48S,50R)-42-(2-aminoethyl)-6-(aminomethyl)-15-(2-amino-2-oxoethyl)-33,36-dibutyl-39-[[1-(carboxymethyl)indol-3-yl]methyl]-50-hydroxy-21-[(4-hydroxyphenyl)methyl]-45-(1H-indol-3-ylmethyl)-18,19,34,37-tetramethyl-3,30-bis(2-methylpropyl)-2,5,8,14,17,20,23,29,32,35,38,41,44,47-tetradecaoxo-25-thia-1,4,7,13,16,19,22,28,31,34,37,40,43,46-tetradecazatricyclo[46.3.0.09,13]henpentacontane-27-carbonyl]amino]acetyl]amino]-2-carboxyethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-1-carboxy-4-oxobutyl]amino]-18-oxooctadecanoic acid
CAS Number2919596-13-5
PubChem CID172991800
IUPAC Name18-[[(1S)-4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-[(2S)-2-[[2-[[(3S,6S,9S,15S,18S,21S,27R,30S,33S,36S,39S,42S,45S,48S,50R)-42-(2-aminoethyl)-6-(aminomethyl)-15-(2-amino-2-oxoethyl)-33,36-dibutyl-39-[[1-(carboxymethyl)indol-3-yl]methyl]-50-hydroxy-21-[(4-hydroxyphenyl)methyl]-45-(1H-indol-3-ylmethyl)-18,19,34,37-tetramethyl-3,30-bis(2-methylpropyl)-2,5,8,14,17,20,23,29,32,35,38,41,44,47-tetradecaoxo-25-thia-1,4,7,13,16,19,22,28,31,34,37,40,43,46-tetradecazatricyclo[46.3.0.09,13]henpentacontane-27-carbonyl]amino]acetyl]amino]-2-carboxyethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-1-carboxy-4-oxobutyl]amino]-18-oxooctadecanoic acid
Molecular FormulaC143H224N26O40S
Molecular Weight2979.5
XLogP0.5
Topological Polar Surface Area943
Hydrogen Bond Donor Count23
Hydrogen Bond Acceptor Count45
Rotatable Bond Count88
Heavy Atom Count210
Formal Charge0
Complexity6130
SMILES
CCCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CSCC(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N3C[C@@H](C[C@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N1C)CCCC)C)CC4=CN(C5=CC=CC=C54)CC(=O)O)CCN)CC6=CNC7=CC=CC=C76)O)CC(C)C)CN)CC(=O)N)C)C)CC8=CC=C(C=C8)O)C(=O)NCC(=O)N[C@@H](CC9=CN(N=N9)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CC[C@@H](C(=O)O)NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)CC(C)C
InChI
InChI=1S/C143H224N26O40S/c1-11-13-37-117-134(187)154-107(76-93(3)4)131(184)160-115(129(182)149-86-124(175)152-113(143(197)198)81-99-88-167(162-161-99)53-55-200-57-59-202-61-63-204-65-67-206-69-71-208-73-75-209-74-72-207-70-68-205-66-64-203-62-60-201-58-56-199-54-51-147-122(173)48-47-106(142(195)196)150-123(174)41-27-25-23-21-19-17-15-16-18-20-22-24-26-28-42-126(177)178)91-210-92-125(176)151-110(78-96-43-45-100(170)46-44-96)137(190)163(8)95(7)128(181)156-112(83-121(146)172)139(192)168-52-33-40-118(168)135(188)159-114(84-145)133(186)157-109(77-94(5)6)140(193)169-89-101(171)82-120(169)136(189)155-108(79-97-85-148-104-36-31-29-34-102(97)104)132(185)153-105(49-50-144)130(183)158-111(138(191)165(10)119(38-14-12-2)141(194)164(117)9)80-98-87-166(90-127(179)180)116-39-32-30-35-103(98)116/h29-32,34-36,39,43-46,85,87-88,93-95,101,105-115,117-120,148,170-171H,11-28,33,37-38,40-42,47-84,86,89-92,144-145H2,1-10H3,(H2,146,172)(H,147,173)(H,149,182)(H,150,174)(H,151,176)(H,152,175)(H,153,185)(H,154,187)(H,155,189)(H,156,181)(H,157,186)(H,158,183)(H,159,188)(H,160,184)(H,177,178)(H,179,180)(H,195,196)(H,197,198)/t95-,101+,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,117-,118-,119-,120-/m0/s1
InChIKey
IQRNUGWYTJONBD-LJOMSQDUSA-N
Chemical Structure
2D Structure
2D structure of 18-[[(1S)-4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-[(2S)-2-[[2-[[(3S,6S,9S,15S,18S,21S,27R,30S,33S,36S,39S,42S,45S,48S,50R)-42-(2-aminoethyl)-6-(aminomethyl)-15-(2-amino-2-oxoethyl)-33,36-dibutyl-39-[[1-(carboxymethyl)indol-3-yl]methyl]-50-hydroxy-21-[(4-hydroxyphenyl)methyl]-45-(1H-indol-3-ylmethyl)-18,19,34,37-tetramethyl-3,30-bis(2-methylpropyl)-2,5,8,14,17,20,23,29,32,35,38,41,44,47-tetradecaoxo-25-thia-1,4,7,13,16,19,22,28,31,34,37,40,43,46-tetradecazatricyclo[46.3.0.09,13]henpentacontane-27-carbonyl]amino]acetyl]amino]-2-carboxyethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-1-carboxy-4-oxobutyl]amino]-18-oxooctadecanoic acid
CAS: 2919596-13-5
CID: 172991800
Formula: C143H224N26O40S
MW: 2979.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight2979.5
XLogP30.5
Hydrogen Bond Donor Count23
Hydrogen Bond Acceptor Count45
Rotatable Bond Count88
Exact Mass2978.6047420
Monoisotopic Mass2977.6013872
Topological Polar Surface Area943 Ų
Heavy Atom Count210
Formal Charge0
Complexity6130
Isotope Atom Count0
Defined Atom Stereocenter Count17
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
GTR19170565-01BMS-986235
GTR19189356-01BMS-986278
GTR19210331-01BMS-986318
GTR19189462-01BMS-986224
GTR19155611-01BMS-986242
GTR19212348-01BMS-986339
GTR19213364BMS-986224
GTR19209527-01BMS-986034
GTR19175120-01BMS-986158
GTR19165749-01BMS-986242

Alternative Products

CatalogName
T206575-01BMS-986238
MBS386661-01BMS-806 (BMS 378806)
A11201-2BMS-806 (BMS 378806) 2mg
A11201-1BMS-806 (BMS 378806) 1mg
A11201-25BMS-806 (BMS 378806) 25mg
A11201-500BMS-806 (BMS 378806) 500mg
BA1866-5BMS-986094
BA9174-50BMS-564929
BA5455-5BMS-986278
BA5193-5BMS-986224

Popular Products