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Also known as: Biropepimut-s [usan], Unii-6xjf4ezc5z, Mage-a3, 6xjf4ezc5z, Mage-a3 trojan peptide vaccine, Gl-0817
Molecular Formula
C261H449N91O56
Molecular Weight
5758  g/mol
InChI Key
SSOORFWOBGFTHL-OTEJMHTDSA-N

Biropepimut-S
Biropepimut-S is a proprietary, peptide cancer vaccine comprised of multiple peptides derived from human melanoma antigen A3 (MAGE-A3; MAGEA3), with potential immunostimulating and antineoplastic activities. Upon administration, biropepimut-S may stimulate the immune system to mount specific responses from B-cells, and CD4-positive and CD8-positive cells against tumor cells expressing MAGE-A3, resulting in tumor cell lysis. MAGE-A3, a tumor-associated antigen (TAA), is overexpressed by a variety of cancer cell types.
1 2D Structure

Biropepimut-S

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(4S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[(2S)-2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-5-carbamimidamido-1-[[(2S)-5-carbamimidamido-1-[[(1S)-4-carbamimidamido-1-carboxybutyl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-[[(2S)-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-5-oxopentanoic acid
2.1.2 InChI
InChI=1S/C261H449N91O56/c1-30-147(26)204(249(406)339-186(124-153-70-38-33-39-71-153)234(391)342-190(131-354)238(395)322-159(75-43-49-99-263)210(367)309-149(28)207(364)341-189(130-353)240(397)344-192(133-356)241(398)343-191(132-355)239(396)335-180(118-137(6)7)230(387)324-175(93-96-195(270)358)223(380)331-178(116-135(2)3)228(385)320-168(84-58-108-298-255(279)280)218(375)313-160(76-44-50-100-264)212(369)312-161(77-45-51-101-265)213(370)314-165(81-55-105-295-252(273)274)216(373)315-167(83-57-107-297-254(277)278)219(376)323-174(92-95-194(269)357)222(379)318-166(82-56-106-296-253(275)276)217(374)316-169(85-59-109-299-256(281)282)220(377)329-177(250(407)408)90-64-114-304-261(291)292)351-248(405)203(146(24)25)348-225(382)171(87-61-111-301-258(285)286)319-215(372)163(79-47-53-103-267)327-245(402)200(143(18)19)347-227(384)173(89-63-113-303-260(289)290)328-246(403)201(144(20)21)349-236(393)182(120-139(10)11)330-206(363)148(27)308-211(368)164(80-54-104-294-251(271)272)325-242(399)193-91-65-115-352(193)196(359)129-306-209(366)187(125-154-127-305-158-74-41-40-72-156(154)158)338-231(388)181(119-138(8)9)334-232(389)184(122-151-66-34-31-35-67-151)336-221(378)170(86-60-110-300-257(283)284)317-214(371)162(78-46-52-102-266)326-244(401)199(142(16)17)346-226(383)172(88-62-112-302-259(287)288)321-229(386)179(117-136(4)5)333-233(390)185(123-152-68-36-32-37-69-152)337-235(392)188(126-155-128-293-134-307-155)340-247(404)202(145(22)23)350-237(394)183(121-140(12)13)332-224(381)176(94-97-197(360)361)311-205(362)150(29)310-243(400)198(141(14)15)345-208(365)157(268)73-42-48-98-262/h31-41,66-72,74,127-128,134-150,157,159-193,198-204,305,353-356H,30,42-65,73,75-126,129-133,262-268H2,1-29H3,(H2,269,357)(H2,270,358)(H,293,307)(H,306,366)(H,308,368)(H,309,367)(H,310,400)(H,311,362)(H,312,369)(H,313,375)(H,314,370)(H,315,373)(H,316,374)(H,317,371)(H,318,379)(H,319,372)(H,320,385)(H,321,386)(H,322,395)(H,323,376)(H,324,387)(H,325,399)(H,326,401)(H,327,402)(H,328,403)(H,329,377)(H,330,363)(H,331,380)(H,332,381)(H,333,390)(H,334,389)(H,335,396)(H,336,378)(H,337,392)(H,338,388)(H,339,406)(H,340,404)(H,341,364)(H,342,391)(H,343,398)(H,344,397)(H,345,365)(H,346,383)(H,347,384)(H,348,382)(H,349,393)(H,350,394)(H,351,405)(H,360,361)(H,407,408)(H4,271,272,294)(H4,273,274,295)(H4,275,276,296)(H4,277,278,297)(H4,279,280,298)(H4,281,282,299)(H4,283,284,300)(H4,285,286,301)(H4,287,288,302)(H4,289,290,303)(H4,291,292,304)/t147-,148-,149-,150-,157-,159-,160-,161-,162-,163-,164-,165-,166-,167-,168-,169-,170-,171-,172-,173-,174-,175-,176-,177-,178-,179-,180-,181-,182-,183-,184-,185-,186-,187-,188-,189-,190-,191-,192-,193-,198-,199-,200-,201-,202-,203-,204-/m0/s1
2.1.3 InChI Key
SSOORFWOBGFTHL-OTEJMHTDSA-N
2.1.4 Canonical SMILES
CCC(C)C(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CO)C(=O)NC(CCCCN)C(=O)NC(C)C(=O)NC(CO)C(=O)NC(CO)C(=O)NC(CO)C(=O)NC(CC(C)C)C(=O)NC(CCC(=O)N)C(=O)NC(CC(C)C)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCC(=O)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)O)NC(=O)C(C(C)C)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCCN)NC(=O)C(C(C)C)NC(=O)C(CCCNC(=N)N)NC(=O)C(C(C)C)NC(=O)C(CC(C)C)NC(=O)C(C)NC(=O)C(CCCNC(=N)N)NC(=O)C2CCCN2C(=O)CNC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C(CC(C)C)NC(=O)C(CC5=CC=CC=C5)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCCN)NC(=O)C(C(C)C)NC(=O)C(CCCNC(=N)N)NC(=O)C(CC(C)C)NC(=O)C(CC6=CC=CC=C6)NC(=O)C(CC7=CNC=N7)NC(=O)C(C(C)C)NC(=O)C(CC(C)C)NC(=O)C(CCC(=O)O)NC(=O)C(C)NC(=O)C(C(C)C)NC(=O)C(CCCCN)N
2.1.5 Isomeric SMILES
CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)CNC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC5=CC=CC=C5)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC6=CC=CC=C6)NC(=O)[C@H](CC7=CNC=N7)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCCN)N
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. Biropepimut-s [usan]

2. Unii-6xjf4ezc5z

3. Mage-a3

4. 6xjf4ezc5z

5. Mage-a3 Trojan Peptide Vaccine

6. Gl-0817

7. 911338-45-9

8. Lys-val-ala-glu-leu-val-his-phe-leu-arg-val-lys-arg-phe-leu-trp-gly-pro-arg-ala-leu-val-arg-val-lys-arg-val-ile-phe-ser-lys-ala-ser-ser-ser-leu-gln-leu-arg-lys-lys-arg-arg-gln-arg-arg-arg

2.3 Create Date
2016-12-18
3 Chemical and Physical Properties
Molecular Weight 5758 g/mol
Molecular Formula C261H449N91O56
XLogP3-13.2
Hydrogen Bond Donor Count95
Hydrogen Bond Acceptor Count75
Rotatable Bond Count214
Exact Mass5756.5151021 g/mol
Monoisotopic Mass5754.5083924 g/mol
Topological Polar Surface Area2480 Ų
Heavy Atom Count408
Formal Charge0
Complexity14100
Isotope Atom Count0
Defined Atom Stereocenter Count47
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

ABOUT THIS PAGE

Biropepimut-S Manufacturers

A Biropepimut-S manufacturer is defined as any person or entity involved in the manufacture, preparation, processing, compounding or propagation of Biropepimut-S, including repackagers and relabelers. The FDA regulates Biropepimut-S manufacturers to ensure that their products comply with relevant laws and regulations and are safe and effective to use. Biropepimut-S API Manufacturers are required to adhere to Good Manufacturing Practices (GMP) to ensure that their products are consistently manufactured to meet established quality criteria.

Biropepimut-S Suppliers

A Biropepimut-S supplier is an individual or a company that provides Biropepimut-S active pharmaceutical ingredient (API) or Biropepimut-S finished formulations upon request. The Biropepimut-S suppliers may include Biropepimut-S API manufacturers, exporters, distributors and traders.

Biropepimut-S GMP

Biropepimut-S Active pharmaceutical ingredient (API) is produced in GMP-certified manufacturing facility.

GMP stands for Good Manufacturing Practices, which is a system used in the pharmaceutical industry to make sure that goods are regularly produced and monitored in accordance with quality standards. The FDA’s current Good Manufacturing Practices requirements are referred to as cGMP or current GMP which indicates that the company follows the most recent GMP specifications. The World Health Organization (WHO) has its own set of GMP guidelines, called the WHO GMP. Different countries can also set their own guidelines for GMP like China (Chinese GMP) or the EU (EU GMP).

PharmaCompass offers a list of Biropepimut-S GMP manufacturers, exporters & distributors, which can be sorted by USDMF, JDMF, KDMF, CEP (COS), WC, API price, and more, enabling you to easily find the right Biropepimut-S GMP manufacturer or Biropepimut-S GMP API supplier for your needs.

Biropepimut-S CoA

A Biropepimut-S CoA (Certificate of Analysis) is a formal document that attests to Biropepimut-S's compliance with Biropepimut-S specifications and serves as a tool for batch-level quality control.

Biropepimut-S CoA mostly includes findings from lab analyses of a specific batch. For each Biropepimut-S CoA document that a company creates, the USFDA specifies specific requirements, such as supplier information, material identification, transportation data, evidence of conformity and signature data.

Biropepimut-S may be tested according to a variety of international standards, such as European Pharmacopoeia (Biropepimut-S EP), Biropepimut-S JP (Japanese Pharmacopeia) and the US Pharmacopoeia (Biropepimut-S USP).

Inform the supplier about your product requirements, specifying if you need a product with particular monograph like EP (Ph. Eur.), USP, JP, BP, or any other quality. In addition, clarify whether you need hydrochloride (HCl), anhydricum, base, micronisatum or a specific level of purity. To find reputable suppliers, utilize the filters and select those certified by GMP, FDA, or any other certification as per your requirement.
For your convenience, we have listed synonyms and CAS numbers to help you find the best supplier. The use of synonyms and CAS numbers can be helpful in identifying potential suppliers, but it is crucial to note that they might not always indicate the exact same product. It is important to confirm the product details with the supplier before making a purchase to ensure that it meets your requirements.
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