AB-3PRGD2

CAT: 0931-T206427-01Size: 10 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0931-T206427-01Size:10 mg

Selected

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

Quick Request Actions

CAS Number

2416165-76-7

Target

PD-1/PD-L1, Integrin

Related Pathways

Immunology/Inflammation, Cytoskeletal Signaling, Cell Cycle/Checkpoint, Apoptosis

Bioactivity

AB-3PRGD2 is a radiolabeled agent that targets integrin αvβ3. It enhances tumor uptake and prolongs retention time in tumors, significantly improving the inhibition of tumor growth. AB-3PRGD2 also remodels the tumor immune microenvironment by upregulating PD-L1 expression and increasing tumor-infiltrating CD8+ T cells.

Smiles

S(C[C@H](NC(CN1CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1)=O)C(N[C@H](CCCCNC(CCCC2=CC=C(I)C=C2)=O)C(O)=O)=O)C3C(=O)N(CCCCCC(NCCOCCOCCOCCOCCC(N[C@@H](CCC(NCCOCCOCCOCCOCCC(NCCCC[C@@H]4NC(=O)[C@@H](CC5=CC=CC=C5)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC4=O)=O)=O)C(NCCOCCOCCOCCOCCC(NCCCC[C@@H]6NC(=O)[C@@H](CC7=CC=CC=C7)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC6=O)=O)=O)=O)=O)C(=O)C3

Molecular Formula

C137H215IN30O45S

Molecular Weight

3161.32

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

AB-3Prgd2

CAS Number	2416165-76-7
PubChem CID	173640863
IUPAC Name	(2R)-2-[[(2R)-3-[1-[6-[2-[2-[2-[2-[3-[[(2S)-1,5-bis[2-[2-[2-[2-[3-[4-[(2S,5S,11S,14R)-14-benzyl-5-(3-carbamimidamidopropyl)-11-(carboxymethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]butylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-1,5-dioxopentan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-6-oxohexyl]-2,5-dioxopyrrolidin-3-yl]sulfanyl-2-[[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]propanoyl]amino]-6-[4-(4-iodophenyl)butanoylamino]hexanoic acid
Molecular Formula	C137H215IN30O45S
Molecular Weight	3161.3
XLogP	-16.1
Topological Polar Surface Area	1090
Hydrogen Bond Donor Count	31
Hydrogen Bond Acceptor Count	52
Rotatable Bond Count	108
Heavy Atom Count	214
Formal Charge	0
Complexity	6300

SMILES

C1CN(CCN(CCN(CCN1CC(=O)N[C@@H](CSC2CC(=O)N(C2=O)CCCCCC(=O)NCCOCCOCCOCCOCCC(=O)N[C@@H](CCC(=O)NCCOCCOCCOCCOCCC(=O)NCCCC[C@H]3C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](C(=O)N3)CC4=CC=CC=C4)CC(=O)O)CCCNC(=N)N)C(=O)NCCOCCOCCOCCOCCC(=O)NCCCC[C@H]5C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](C(=O)N5)CC6=CC=CC=C6)CC(=O)O)CCCNC(=N)N)C(=O)N[C@H](CCCCNC(=O)CCCC7=CC=C(C=C7)I)C(=O)O)CC(=O)O)CC(=O)O)CC(=O)O

InChI

InChI=1S/C137H215IN30O45S/c138-96-33-31-93(32-34-96)23-16-30-110(170)143-40-14-11-26-102(135(200)201)161-133(198)107(156-117(177)88-164-49-51-165(89-121(183)184)53-55-167(91-123(187)188)56-54-166(52-50-164)90-122(185)186)92-214-108-85-118(178)168(134(108)199)48-15-3-8-29-109(169)146-45-60-205-66-72-211-79-77-210-71-65-204-59-39-114(174)153-101(124(189)148-47-62-207-68-74-213-80-76-209-70-64-203-58-38-113(173)145-42-13-10-25-100-128(193)158-98(28-18-44-150-137(141)142)126(191)152-87-116(176)155-106(84-120(181)182)132(197)163-104(130(195)160-100)82-95-21-6-2-7-22-95)35-36-111(171)147-46-61-206-67-73-212-78-75-208-69-63-202-57-37-112(172)144-41-12-9-24-99-127(192)157-97(27-17-43-149-136(139)140)125(190)151-86-115(175)154-105(83-119(179)180)131(196)162-103(129(194)159-99)81-94-19-4-1-5-20-94/h1-2,4-7,19-22,31-34,97-108H,3,8-18,23-30,35-92H2,(H,143,170)(H,144,172)(H,145,173)(H,146,169)(H,147,171)(H,148,189)(H,151,190)(H,152,191)(H,153,174)(H,154,175)(H,155,176)(H,156,177)(H,157,192)(H,158,193)(H,159,194)(H,160,195)(H,161,198)(H,162,196)(H,163,197)(H,179,180)(H,181,182)(H,183,184)(H,185,186)(H,187,188)(H,200,201)(H4,139,140,149)(H4,141,142,150)/t97-,98-,99-,100-,101-,102+,103+,104+,105-,106-,107-,108?/m0/s1

InChIKey

XWTZSZBTLBDMLZ-BZMBUDQKSA-N

Chemical Structure

2D Structure

CAS: 2416165-76-7

CID: 173640863

Formula: C137H215IN30O45S

MW: 3161.3

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	3161.3
XLogP3	-16.1
Hydrogen Bond Donor Count	31
Hydrogen Bond Acceptor Count	52
Rotatable Bond Count	108
Exact Mass	3160.42566
Monoisotopic Mass	3159.42230
Topological Polar Surface Area	1090 Å²
Heavy Atom Count	214
Formal Charge	0
Complexity	6300
Isotope Atom Count	0
Defined Atom Stereocenter Count	11
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Related Products

Catalog	Name
T73500-01	AB-506
T26502-01	AB 74
T26503-01	AB-002
TN2232-01	Soyasaponin Ab
T211834-01	AB-ICA
T29516	AB 5046B
TYD-02535-01	AB-CHMICA
T85538-01	AB-452
TQ0017-01	AB-423
T9901A-1040-01	AB-3A4

Alternative Products

Catalog	Name
GTR19259057-01	AB-3PRGD2
DE7580	Thyreoidal Peroxidase-Ab (TPO-Ab)
RE75501	Thyroglobulin-Ab (Tg-Ab) ELISA
167939	PDGF-AB, Recombinant, Human, Human PDGF-AB, h-PDGF-AB, PDGF-AB, PDGFAB, PDGF AB, rh-PDGF-AB, recombinant human PDGF-AB, recombinant PDGF-AB, PDGF) discontinued
VR-VIFPCH-AB-10	FPV Ab+FCV Ab+FHV Ab Combo Rapid Test
DE7590	Thyroglobulin-Ab (Tg-Ab) ELISA Kit
RE75511	Thyroid Peroxidase-Ab (TPO-Ab) ELISA
BA1835-1	AB-836
BA1836-5.1	AB-423
HY-P991292	AB-3A4

AB-3PRGD2

Chemical Information

Related Products

Alternative Products

Popular Products