Name: DBCO-(PEG2-VC-PAB-MMAE)2
Brand: BOC Sciences
Rating: 5 (1 reviews)

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IUPAC Name

[4-[[(2S)-2-[[(2S)-2-[3-[2-[2-[[4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxobutanoyl]-[2-[2-[3-[[(2S)-1-[[(2S)-5-(carbamoylamino)-1-[4-[[[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-methylcarbamoyl]oxymethyl]anilino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]propanoylamino]-3-methylbutanoyl]amino]-5-(carbamoylamino)pentanoyl]amino]phenyl]methyl N-[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-N-methylcarbamate

Canonical SMILES

CCC(C)C(C(CC(=O)N1CCCC1C(C(C)C(=O)NC(C)C(C2=CC=CC=C2)O)OC)OC)N(C)C(=O)C(C(C)C)NC(=O)C(C(C)C)N(C)C(=O)OCC3=CC=C(C=C3)NC(=O)C(CCCNC(=O)N)NC(=O)C(C(C)C)NC(=O)CCOCCOCCN(CCOCCOCCC(=O)NC(C(C)C)C(=O)NC(CCCNC(=O)N)C(=O)NC4=CC=C(C=C4)COC(=O)N(C)C(C(C)C)C(=O)NC(C(C)C)C(=O)N(C)C(C(C)CC)C(CC(=O)N5CCCC5C(C(C)C(=O)NC(C)C(C6=CC=CC=C6)O)OC)OC)C(=O)CCC(=O)N7CC8=CC=CC=C8C#CC9=CC=CC=C97

InChI

InChI=1S/C149H224N22O32/c1-29-96(15)130(116(194-25)85-122(176)169-73-43-55-114(169)134(196-27)98(17)136(180)154-100(19)132(178)106-47-33-31-34-48-106)164(21)144(188)126(92(7)8)162-142(186)128(94(11)12)166(23)148(192)202-88-102-57-63-109(64-58-102)156-138(182)111(52-41-71-152-146(150)190)158-140(184)124(90(3)4)160-118(172)69-77-198-81-83-200-79-75-168(120(174)67-68-121(175)171-87-108-51-38-37-45-104(108)61-62-105-46-39-40-54-113(105)171)76-80-201-84-82-199-78-70-119(173)161-125(91(5)6)141(185)159-112(53-42-72-153-147(151)191)139(183)157-110-65-59-103(60-66-110)89-203-149(193)167(24)129(95(13)14)143(187)163-127(93(9)10)145(189)165(22)131(97(16)30-2)117(195-26)86-123(177)170-74-44-56-115(170)135(197-28)99(18)137(181)155-101(20)133(179)107-49-35-32-36-50-107/h31-40,45-51,54,57-60,63-66,90-101,111-112,114-117,124-135,178-179H,29-30,41-44,52-53,55-56,67-89H2,1-28H3,(H,154,180)(H,155,181)(H,156,182)(H,157,183)(H,158,184)(H,159,185)(H,160,172)(H,161,173)(H,162,186)(H,163,187)(H3,150,152,190)(H3,151,153,191)/t96-,97-,98+,99+,100+,101+,111-,112-,114-,115-,116+,117+,124-,125-,126-,127-,128-,129-,130-,131-,132+,133+,134+,135+/m0/s1

Solubility

10 mm in DMSO

Appearance

Solid

Shelf Life

0-4°C for short term (days to weeks), or -20°C for long term (months).

Shipping

Room temperature

Storage

Store at -20 °C, keep in dry and avoid sunlight.

Form

Solid

DBCO-(PEG2-VC-PAB-MMAE)2, a specialized drug conjugate employed in targeted cancer therapies, offers a multitude of applications. Here are four key applications:

Targeted Cancer Therapy: DBCO-(PEG2-VC-PAB-MMAE)2 plays a pivotal role in formulating antibody-drug conjugates (ADCs) tailored to zero in on cancer cells with precision. This compound enables the specific delivery of the cytotoxic agent MMAE to cancerous cells, while sparing healthy tissues from harm. Such targeted precision not only enhances therapeutic effectiveness but also mitigates adverse effects, marking a significant advancement in cancer treatment strategies.

Bioconjugation Technology: In the realm of bioconjugation techniques, DBCO-(PEG2-VC-PAB-MMAE)2 emerges as a prominent player, facilitating the linkage of drugs to antibodies or other targeting molecules. The DBCO moiety showcases high reactivity with azide-functionalized molecules, fueling the construction of intricate bioconjugates through the art of click chemistry. This innovative approach propels the development of novel therapeutic agents and diagnostic tools.

Pharmacodynamics Studies: Researchers harness the power of DBCO-(PEG2-VC-PAB-MMAE)2 in delving into the pharmacodynamics and mechanistic underpinnings of cancer therapeutics. By scrutinizing the behavior and efficacy of the conjugate in preclinical models, scientists glean insights into drug delivery kinetics, cellular uptake dynamics, and toxicity profiles.

Immunotherapy Research: DBCO-(PEG2-VC-PAB-MMAE)2 takes center stage in the realm of immunotherapy research, driving the development of cutting-edge combination therapies that marry targeted drug delivery with immune modulation. By conjugating MMAE to antibodies that specifically target immune cells, researchers aspire to bolster anti-tumor immune responses. This innovative amalgamation holds immense potential in enhancing the efficacy of cancer immunotherapies, charting a promising trajectory in the fight against cancer.

Catalog	Product Name	CAS
BADC-00019	Fmoc-VC-PAB-MMAE	1350456-56-2
BADC-00849	Acetylene-linker-Val-Cit-PABC-MMAE	1411977-95-1
BADC-01448	mDPR-Val-Cit-PAB-MMAE	1491152-26-1
BADC-00958	Amino-PEG4-Val-Cit-PAB-MMAE	1492056-71-9
BADC-01348	Val-Cit-PAB-MMAE TFA salt	1608127-32-7
BADC-01435	N-Ac-Cys-MC-VC-PAB-MMAE	1628933-80-1
BADC-01408	DBM(C6)-VC-PAB-MMAE	1644228-55-6
BADC-01459	MC-betaglucuronide-MMAE-1	1703778-92-0
BADC-01638	OH-Glu-Val-Cit-PAB-MMAE	1895916-23-0
BADC-00855	SuO-Glu-Val-Cit-PAB-MMAE	1895916-24-1