ANG1005
CAT: 0931-T78034-02Size: 50 mgDry Ice: NoHazardous: No
1 / 1
Quick Request Actions
CAS Number
1075214-55-9
Target
LDLR
Related Pathways
Metabolism
Bioactivity
ANG1005 is a brain-penetrating peptide-agent conjugate comprising a taxane derivative that features three paclitaxel molecules covalently bonded to Angiopep-2. This design facilitates crossing of the blood-brain and blood-cerebrospinal barriers, with subsequent penetration of malignant cells through the low-density lipoprotein receptor-related protein (LRP1) transport system [1] [2] [3].
Molecular Formula
C256H306N32O81
Molecular Weight
5127.33
Shipping Conditions
Ice Packs
Storage Temperature
-20°C
Chemical Information
Paclitaxel Trevatide
Three paclitaxel molecules linked by a cleavable succinyl ester linkage to a brain peptide vector, Angiopep-2, conjugate named ANG1005.
| CAS Number | 1075214-55-9 |
| PubChem CID | 46884921 |
| IUPAC Name | (4S)-4-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-6-[[4-[(1S,2R)-1-benzamido-3-[[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-2-benzoyloxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]oxy]-3-oxo-1-phenylpropan-2-yl]oxy-4-oxobutanoyl]amino]-2-[[2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[4-[(1S,2R)-1-benzamido-3-[[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-2-benzoyloxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]oxy]-3-oxo-1-phenylpropan-2-yl]oxy-4-oxobutanoyl]amino]-3-hydroxybutanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-5-carbamimidamidopentanoyl]amino]acetyl]amino]hexanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-oxobutanoyl]amino]-4-oxobutanoyl]amino]-3-phenylpropanoyl]amino]-6-[[4-[(1S,2R)-1-benzamido-3-[[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-2-benzoyloxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]oxy]-3-oxo-1-phenylpropan-2-yl]oxy-4-oxobutanoyl]amino]hexanoyl]amino]-3-hydroxybutanoyl]amino]-4-carboxybutanoyl]amino]-5-[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-5-oxopentanoic acid |
| Molecular Formula | C257H308N32O79 |
| Molecular Weight | 5109 |
| XLogP | 3.6 |
| Topological Polar Surface Area | 1720 |
| Hydrogen Bond Donor Count | 46 |
| Hydrogen Bond Acceptor Count | 81 |
| Rotatable Bond Count | 138 |
| Heavy Atom Count | 368 |
| Formal Charge | 0 |
| Complexity | 14000 |
SMILES
CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)OC(=O)CCC(=O)NCCCC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC7=CC=CC=C7)C(=O)N[C@@H](CCCCNC(=O)CCC(=O)O[C@H]([C@H](C8=CC=CC=C8)NC(=O)C9=CC=CC=C9)C(=O)O[C@H]1C[C@]2([C@H]([C@H]3[C@@]([C@H](C[C@@H]5[C@]3(CO5)OC(=O)C)O)(C(=O)[C@@H](C(=C1C)C2(C)C)OC(=O)C)C)OC(=O)C1=CC=CC=C1)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)O)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)CNC(=O)CNC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](C(C)O)NC(=O)CCC(=O)O[C@H]([C@H](C1=CC=CC=C1)NC(=O)C1=CC=CC=C1)C(=O)O[C@H]1C[C@]2([C@H]([C@H]3[C@@]([C@H](C[C@@H]5[C@]3(CO5)OC(=O)C)O)(C(=O)[C@@H](C(=C1C)C2(C)C)OC(=O)C)C)OC(=O)C1=CC=CC=C1)O)O)OC(=O)C1=CC=CC=C1)(CO4)OC(=O)C)O)C)OC(=O)C
InChI
InChI=1S/C257H308N32O79/c1-133-174(123-255(348)216(363-238(342)155-81-51-30-52-82-155)210-249(18,177(301)120-180-252(210,130-351-180)366-141(9)296)213(319)204(354-138(6)293)196(133)246(255,12)13)357-241(345)207(201(149-69-39-24-40-70-149)287-219(322)152-75-45-27-46-76-152)360-193(316)106-101-185(306)264-109-59-57-87-161(271-190(311)128-270-222(325)160(89-61-111-266-244(260)261)273-234(337)173(129-290)272-189(310)127-268-188(309)126-269-223(326)166(116-147-91-95-158(299)96-92-147)278-230(333)168(114-145-65-35-22-36-66-145)279-231(334)169(115-146-67-37-23-38-68-146)283-235(338)199(136(4)291)285-187(308)103-108-195(318)362-209(203(151-73-43-26-44-74-151)289-221(324)154-79-49-29-50-80-154)243(347)359-176-125-257(350)218(365-240(344)157-85-55-32-56-86-157)212-251(20,179(303)122-182-254(212,132-353-182)368-143(11)298)215(321)206(356-140(8)295)198(135(176)3)248(257,16)17)224(327)274-163(90-62-112-267-245(262)263)225(328)281-170(118-183(258)304)233(336)282-171(119-184(259)305)232(335)280-167(113-144-63-33-21-34-64-144)229(332)275-162(228(331)286-200(137(5)292)236(339)277-165(100-105-192(314)315)226(329)276-164(99-104-191(312)313)227(330)284-172(237(340)341)117-148-93-97-159(300)98-94-148)88-58-60-110-265-186(307)102-107-194(317)361-208(202(150-71-41-25-42-72-150)288-220(323)153-77-47-28-48-78-153)242(346)358-175-124-256(349)217(364-239(343)156-83-53-31-54-84-156)211-250(19,178(302)121-181-253(211,131-352-181)367-142(10)297)214(320)205(355-139(7)294)197(134(175)2)247(256,14)15/h21-56,63-86,91-98,136-137,160-182,199-212,216-218,290-292,299-303,348-350H,57-62,87-90,99-132H2,1-20H3,(H2,258,304)(H2,259,305)(H,264,306)(H,265,307)(H,268,309)(H,269,326)(H,270,325)(H,271,311)(H,272,310)(H,273,337)(H,274,327)(H,275,332)(H,276,329)(H,277,339)(H,278,333)(H,279,334)(H,280,335)(H,281,328)(H,282,336)(H,283,338)(H,284,330)(H,285,308)(H,286,331)(H,287,322)(H,288,323)(H,289,324)(H,312,313)(H,314,315)(H,340,341)(H4,260,261,266)(H4,262,263,267)/t136?,137-,160+,161+,162+,163+,164+,165+,166+,167+,168+,169+,170+,171+,172+,173+,174+,175+,176+,177+,178+,179+,180-,181-,182-,199+,200+,201+,202+,203+,204-,205-,206-,207-,208-,209-,210+,211+,212+,216+,217+,218+,249-,250-,251-,252+,253+,254+,255-,256-,257-/m1/s1
InChIKey
GBVKRUOMSUTVPW-AHNVSIPUSA-N
Chemical Structure
2D Structure
CAS: 1075214-55-9
CID: 46884921
Formula: C257H308N32O79
MW: 5109
Interactive 3D Structure
Loading 3D structure...
Computed Properties
| Property | Value |
|---|---|
| Molecular Weight | 5109 |
| XLogP3 | 3.6 |
| Hydrogen Bond Donor Count | 46 |
| Hydrogen Bond Acceptor Count | 81 |
| Rotatable Bond Count | 138 |
| Exact Mass | 5108.1134426 |
| Monoisotopic Mass | 5106.1067329 |
| Topological Polar Surface Area | 1720 Ų |
| Heavy Atom Count | 368 |
| Formal Charge | 0 |
| Complexity | 14000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 50 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
Alternative Products
| Catalog | Name |
|---|---|
| GTR19062169-01 | ANG1005 |
Popular Products
Plant DNA Kit
SKU: 3201250|Size: 250 Tests
Superior Broth™
SKU: 0105|Size: 500 g
Recombinant Clostridium Perfringens recX Protein (aa 1-212) (strain SM101 / Type A)
SKU: VAng-Lsx00705-50gEcoli|Size: 50 µg (E. coli)
50G Dextran Sulfate
SKU: NAT1236|Size: 50 g
pMRNAxp mRNAExpress Vector
SKU: MR000PA-1|Size: 10 µg
Mouse anti Human CD22
SKU: CD22-GMS100H|Size: 100 Tests
180 kDa Plus Prestained Protein Marker
SKU: MP201-02|Size: 500 Reactions
180 kDa Plus Prestained Protein Marker
SKU: MP201-02|Size: 500 Reactions
8-Port Manifolds
SKU: 9621|Size: 10 Manifolds/Unit
NFKB1
SKU: MBS8535435-01|Size: 0.1 mL
AXYPREP MAG PLANT DNA-10 PREP
SKU: MAG-PLANT-gDNA-10|Size: 1/pk
Plant DNA Kit
SKU: 3201050|Size: 50 Tests
Plant DNA Kit
SKU: 3201250|Size: 250 Tests
Plant DNA Midi Kit
SKU: GD2612-00|Size: 4 / Box
Plant DNA Maxi Kit
SKU: GD2614-00|Size: 2 / Box
Plant DNA Maxi Kit
SKU: GD2614-01|Size: 10 / Box
Plant DNA Maxi Kit
SKU: GD2614-02|Size: 25 / Box
Plant DNA Mega Kit
SKU: GD2615-00|Size: 1 / Box
Plant DNA Mega Kit
SKU: GD2615-01|Size: 2 / Box
Plant DNA Mega Kit
SKU: GD2615-02|Size: 10 / Box